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

C24H24ClFN6O2 — CID 139329912

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)O
InChIInChI=1S/C24H24ClFN6O2/c1-12-4-21(27)30-13(2)18(12)9-29-24(34)19-11-32(31-22(19)14(3)33)10-15-5-16-7-17(25)8-28-23(16)20(26)6-15/h4-8,11,14,33H,9-10H2,1-3H3,(H2,27,30)(H,29,34)
InChIKeyHQSSMAPLMJDJJG-UHFFFAOYSA-N
MW482.95 g/mol
LogP3.85
Rot. Bonds6

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide (PubChem CID 139329912) has the molecular formula C24H24ClFN6O2 and a molecular weight of 482.95 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide
PubChem CID139329912
Molecular FormulaC24H24ClFN6O2
Molecular Weight482.95 g/mol
Exact Mass482.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)O
InChIInChI=1S/C24H24ClFN6O2/c1-12-4-21(27)30-13(2)18(12)9-29-24(34)19-11-32(31-22(19)14(3)33)10-15-5-16-7-17(25)8-28-23(16)20(26)6-15/h4-8,11,14,33H,9-10H2,1-3H3,(H2,27,30)(H,29,34)
InChIKeyHQSSMAPLMJDJJG-UHFFFAOYSA-N
XLogP3.85
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 53.85
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-(1-hydroxyethyl)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-(1-hydroxyethyl)pyrazole-4-carboxamide (CID 139329912) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)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-(1-hydroxyethyl)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-(1-hydroxyethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(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-(1-hydroxyethyl)pyrazole-4-carboxamide?
The InChIKey is HQSSMAPLMJDJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O2/c1-12-4-21(27)30-13(2)18(12)9-29-24(34)19-11-32(31-22(19)14(3)33)10-15-5-16-7-17(25)8-28-23(16)20(26)6-15/h4-8,11,14,33H,9-10H2,1-3H3,(H2,27,30)(H,29,34).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-(1-hydroxyethyl)pyrazole-4-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 3.85, 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-(1-hydroxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 139329912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).