4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide

C29H31N5O4 — CID 134392094

IUPAC4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide
SMILESCc1cc2nccc(Oc3ccc(NC(=O)c4nn(C5CCCCO5)cc4OCC4CC4)nc3)c2cc1C
InChIInChI=1S/C29H31N5O4/c1-18-13-22-23(14-19(18)2)30-11-10-24(22)38-21-8-9-26(31-15-21)32-29(35)28-25(37-17-20-6-7-20)16-34(33-28)27-5-3-4-12-36-27/h8-11,13-16,20,27H,3-7,12,17H2,1-2H3,(H,31,32,35)
InChIKeyHQMCNTQRZFHWGY-UHFFFAOYSA-N
MW513.60 g/mol
LogP5.98
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide

4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide (PubChem CID 134392094) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide
PubChem CID134392094
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide
SMILESCc1cc2nccc(Oc3ccc(NC(=O)c4nn(C5CCCCO5)cc4OCC4CC4)nc3)c2cc1C
InChIInChI=1S/C29H31N5O4/c1-18-13-22-23(14-19(18)2)30-11-10-24(22)38-21-8-9-26(31-15-21)32-29(35)28-25(37-17-20-6-7-20)16-34(33-28)27-5-3-4-12-36-27/h8-11,13-16,20,27H,3-7,12,17H2,1-2H3,(H,31,32,35)
InChIKeyHQMCNTQRZFHWGY-UHFFFAOYSA-N
XLogP5.98
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
CID 134392253
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide
CID 146575392
1-(2-aminopyrimidin-5-yl)-4-(azetidin-3-ylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]pyrazole-3-carboxamide
CID 134392247
4-(3,4-dihydroxybutoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-propylpyrazole-3-carboxamide
CID 160775973
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(1,3-oxazol-2-yl)pyrazole-3-carboxamide
CID 122633080
N-[5-([1,3]dioxolo[4,5-g]quinolin-8-yloxy)-2-pyridinyl]-5-(4-methylphenyl)-1-(oxan-4-yl)-4-oxopyridazine-3-carboxamide
CID 139336930
1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 134392159
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
CID 134392113
1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122633118
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-[4-[(dimethylamino)methyl]-3-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632984
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632993
1-[4-chloro-3-[(dimethylamino)methyl]phenyl]-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632979

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide (CID 134392094) is 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide is Cc1cc2nccc(Oc3ccc(NC(=O)c4nn(C5CCCCO5)cc4OCC4CC4)nc3)c2cc1C.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide?
The InChIKey is HQMCNTQRZFHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-18-13-22-23(14-19(18)2)30-11-10-24(22)38-21-8-9-26(31-15-21)32-29(35)28-25(37-17-20-6-7-20)16-34(33-28)27-5-3-4-12-36-27/h8-11,13-16,20,27H,3-7,12,17H2,1-2H3,(H,31,32,35).
What are the key properties of 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide?
4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[5-(6,7-dimethylquinolin-4-yl)oxy-2-pyridinyl]-1-(oxan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 134392094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).