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

C25H27ClN6O2 — CID 139331675

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(C)(C)O
InChIInChI=1S/C25H27ClN6O2/c1-14-7-22(27)30-15(2)19(14)11-29-24(33)20-13-32(31-23(20)25(3,4)34)12-16-5-6-21-17(8-16)9-18(26)10-28-21/h5-10,13,34H,11-12H2,1-4H3,(H2,27,30)(H,29,33)
InChIKeyWLTYEFBUSZMQCR-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.88
Rot. Bonds6

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide (PubChem CID 139331675) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-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-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide
PubChem CID139331675
Molecular FormulaC25H27ClN6O2
Molecular Weight478.98 g/mol
Exact Mass478.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(C)(C)O
InChIInChI=1S/C25H27ClN6O2/c1-14-7-22(27)30-15(2)19(14)11-29-24(33)20-13-32(31-23(20)25(3,4)34)12-16-5-6-21-17(8-16)9-18(26)10-28-21/h5-10,13,34H,11-12H2,1-4H3,(H2,27,30)(H,29,33)
InChIKeyWLTYEFBUSZMQCR-UHFFFAOYSA-N
XLogP3.88
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.88
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-chloroquinolin-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-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide (CID 139331675) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-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-chloroquinolin-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-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(C)(C)O.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is WLTYEFBUSZMQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2/c1-14-7-22(27)30-15(2)19(14)11-29-24(33)20-13-32(31-23(20)25(3,4)34)12-16-5-6-21-17(8-16)9-18(26)10-28-21/h5-10,13,34H,11-12H2,1-4H3,(H2,27,30)(H,29,33).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 3.88, 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-chloroquinolin-6-yl)methyl]-3-(2-hydroxypropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 139331675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).