N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C30H31F3N6O2 — CID 59463677

IUPACN-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)C(C)(C)c1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2c(N)nn(C)c2n1
InChIInChI=1S/C30H31F3N6O2/c1-28(2,27(41)38(3)4)22-16-21(23-24(34)37-39(5)25(23)36-22)17-9-11-20(12-10-17)35-26(40)29(13-14-29)18-7-6-8-19(15-18)30(31,32)33/h6-12,15-16H,13-14H2,1-5H3,(H2,34,37)(H,35,40)
InChIKeyFCVGOHSBZGHAIQ-UHFFFAOYSA-N
MW564.61 g/mol
LogP5.27
Rot. Bonds6

About N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 59463677) has the molecular formula C30H31F3N6O2 and a molecular weight of 564.61 g/mol. Its IUPAC name is N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID59463677
Molecular FormulaC30H31F3N6O2
Molecular Weight564.61 g/mol
Exact Mass564.25
IUPAC NameN-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)C(C)(C)c1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2c(N)nn(C)c2n1
InChIInChI=1S/C30H31F3N6O2/c1-28(2,27(41)38(3)4)22-16-21(23-24(34)37-39(5)25(23)36-22)17-9-11-20(12-10-17)35-26(40)29(13-14-29)18-7-6-8-19(15-18)30(31,32)33/h6-12,15-16H,13-14H2,1-5H3,(H2,34,37)(H,35,40)
InChIKeyFCVGOHSBZGHAIQ-UHFFFAOYSA-N
XLogP5.27
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.61
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 59463677) is N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CN(C)C(=O)C(C)(C)c1cc(-c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CC3)cc2)c2c(N)nn(C)c2n1.
What is the InChIKey of N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FCVGOHSBZGHAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O2/c1-28(2,27(41)38(3)4)22-16-21(23-24(34)37-39(5)25(23)36-22)17-9-11-20(12-10-17)35-26(40)29(13-14-29)18-7-6-8-19(15-18)30(31,32)33/h6-12,15-16H,13-14H2,1-5H3,(H2,34,37)(H,35,40).
What are the key properties of N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 564.61 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).