5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C20H28ClN5O2 — CID 146286287

IUPAC5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N)cc1OC
InChIInChI=1S/C20H28ClN5O2/c1-4-26-19(14-11-23-16(22)9-15(14)28-3)17(21)18(25-26)20(27)24-10-13-7-5-12(2)6-8-13/h9,11-13H,4-8,10H2,1-3H3,(H2,22,23)(H,24,27)
InChIKeyYMZVIDMFILVTIT-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.77
Rot. Bonds6

About 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146286287) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146286287
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N)cc1OC
InChIInChI=1S/C20H28ClN5O2/c1-4-26-19(14-11-23-16(22)9-15(14)28-3)17(21)18(25-26)20(27)24-10-13-7-5-12(2)6-8-13/h9,11-13H,4-8,10H2,1-3H3,(H2,22,23)(H,24,27)
InChIKeyYMZVIDMFILVTIT-UHFFFAOYSA-N
XLogP3.77
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146286287) is 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N)cc1OC.
What is the InChIKey of 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is YMZVIDMFILVTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2/c1-4-26-19(14-11-23-16(22)9-15(14)28-3)17(21)18(25-26)20(27)24-10-13-7-5-12(2)6-8-13/h9,11-13H,4-8,10H2,1-3H3,(H2,22,23)(H,24,27).
What are the key properties of 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-4-methoxy-3-pyridinyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146286287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).