2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide

C119H130F3N21O8 — CID 158191510

IUPAC2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(CCC3CC3)(NC(=O)C(C)C)c3cccnc3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)N3CCCC3=O)c2)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C33H37FN6O2.2C29H30FN5O2.C28H33N5O2/c1-21(2)31(41)38-33(14-13-23-9-10-23,26-7-5-15-36-20-26)25-11-12-28(34)29(18-25)37-32(42)30-16-22(3)39-40(30)27-8-4-6-24(17-27)19-35;2*1-19-15-27(35(33-19)23-6-4-5-21(16-23)18-31)29(37)32-25-17-22(11-12-24(25)30)26(13-10-20-8-9-20)34-14-3-2-7-28(34)36;1-19-15-26(33(31-19)24-8-2-5-21(16-24)18-29)28(35)30-23-7-3-6-22(17-23)25(13-12-20-10-11-20)32-14-4-9-27(32)34/h4-8,11-12,15-18,20-21,23H,9-10,13-14,19,35H2,1-3H3,(H,37,42)(H,38,41);2*2-7,11-12,14-17,20,26H,8-10,13,18,31H2,1H3,(H,32,37);2-3,5-8,15-17,20,25H,4,9-14,18,29H2,1H3,(H,30,35)
InChIKeyFZUUPMHXNIUHSZ-UHFFFAOYSA-N
MW2039.48 g/mol
LogP20.32
Rot. Bonds38

About 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 158191510) has the molecular formula C119H130F3N21O8 and a molecular weight of 2039.48 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID158191510
Molecular FormulaC119H130F3N21O8
Molecular Weight2039.48 g/mol
Exact Mass2038.04
IUPAC Name2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(CCC3CC3)(NC(=O)C(C)C)c3cccnc3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)N3CCCC3=O)c2)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C33H37FN6O2.2C29H30FN5O2.C28H33N5O2/c1-21(2)31(41)38-33(14-13-23-9-10-23,26-7-5-15-36-20-26)25-11-12-28(34)29(18-25)37-32(42)30-16-22(3)39-40(30)27-8-4-6-24(17-27)19-35;2*1-19-15-27(35(33-19)23-6-4-5-21(16-23)18-31)29(37)32-25-17-22(11-12-24(25)30)26(13-10-20-8-9-20)34-14-3-2-7-28(34)36;1-19-15-26(33(31-19)24-8-2-5-21(16-24)18-29)28(35)30-23-7-3-6-22(17-23)25(13-12-20-10-11-20)32-14-4-9-27(32)34/h4-8,11-12,15-18,20-21,23H,9-10,13-14,19,35H2,1-3H3,(H,37,42)(H,38,41);2*2-7,11-12,14-17,20,26H,8-10,13,18,31H2,1H3,(H,32,37);2-3,5-8,15-17,20,25H,4,9-14,18,29H2,1H3,(H,30,35)
InChIKeyFZUUPMHXNIUHSZ-UHFFFAOYSA-N
XLogP20.32
TPSA398.06 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002039.48
LogP ≤ 520.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

(+-)-N-(5-(1-acetamido-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355894
(+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-isobutyramido-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118356184
(+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-(3-methylbutanamido)-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665507
(+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-pivalamido-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665924
(+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-propionamido-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665945
2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2,2-dimethylpropanoylamino)-3-pyridin-3-ylpropyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 150954847
1-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118355717
2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(propanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 126681434
N-[5-(1-acetamido-3-cyclopropyl-1-pyridin-3-ylpropyl)-2-fluorophenyl]-2-[3-(aminomethyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 126681437
N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 126681448
N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 126681453
2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2,2-dimethylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 126681454

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 158191510) is 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(CCC3CC3)(NC(=O)C(C)C)c3cccnc3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(CCC3CC3)N3CCCC3=O)c2)n(-c2cccc(CN)c2)n1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is FZUUPMHXNIUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O2.2C29H30FN5O2.C28H33N5O2/c1-21(2)31(41)38-33(14-13-23-9-10-23,26-7-5-15-36-20-26)25-11-12-28(34)29(18-25)37-32(42)30-16-22(3)39-40(30)27-8-4-6-24(17-27)19-35;2*1-19-15-27(35(33-19)23-6-4-5-21(16-23)18-31)29(37)32-25-17-22(11-12-24(25)30)26(13-10-20-8-9-20)34-14-3-2-7-28(34)36;1-19-15-26(33(31-19)24-8-2-5-21(16-24)18-29)28(35)30-23-7-3-6-22(17-23)25(13-12-20-10-11-20)32-14-4-9-27(32)34/h4-8,11-12,15-18,20-21,23H,9-10,13-14,19,35H2,1-3H3,(H,37,42)(H,38,41);2*2-7,11-12,14-17,20,26H,8-10,13,18,31H2,1H3,(H,32,37);2-3,5-8,15-17,20,25H,4,9-14,18,29H2,1H3,(H,30,35).
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2039.48 g/mol, XLogP of 20.32, 38 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-methylpropanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;bis(2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide);2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2-oxopyrrolidin-1-yl)propyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158191510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).