N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide

C25H26ClFN6O2 — CID 139332254

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)(C)O
InChIInChI=1S/C25H26ClFN6O2/c1-13-5-21(28)31-14(2)18(13)10-30-24(34)19-12-33(32-23(19)25(3,4)35)11-15-6-16-8-17(26)9-29-22(16)20(27)7-15/h5-9,12,35H,10-11H2,1-4H3,(H2,28,31)(H,30,34)
InChIKeyQHGJMXXIEXNRPB-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.02
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide (PubChem CID 139332254) has the molecular formula C25H26ClFN6O2 and a molecular weight of 496.97 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide
PubChem CID139332254
Molecular FormulaC25H26ClFN6O2
Molecular Weight496.97 g/mol
Exact Mass496.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)(C)O
InChIInChI=1S/C25H26ClFN6O2/c1-13-5-21(28)31-14(2)18(13)10-30-24(34)19-12-33(32-23(19)25(3,4)35)11-15-6-16-8-17(26)9-29-22(16)20(27)7-15/h5-9,12,35H,10-11H2,1-4H3,(H2,28,31)(H,30,34)
InChIKeyQHGJMXXIEXNRPB-UHFFFAOYSA-N
XLogP4.02
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide (CID 139332254) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)(C)O.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is QHGJMXXIEXNRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6O2/c1-13-5-21(28)31-14(2)18(13)10-30-24(34)19-12-33(32-23(19)25(3,4)35)11-15-6-16-8-17(26)9-29-22(16)20(27)7-15/h5-9,12,35H,10-11H2,1-4H3,(H2,28,31)(H,30,34).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 496.97 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 139332254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).