4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide

C28H32N8O4 — CID 158988550

IUPAC4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCCn1nc(C)c(C)c1-c1nc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)cc3c2cnn3C)c(CN)o1
InChIInChI=1S/C28H32N8O4/c1-7-36-26(15(2)16(3)34-36)28-33-25(23(12-29)40-28)24-19-14-31-35(4)21(19)11-20(32-24)27(37)30-13-17-8-9-18(38-5)10-22(17)39-6/h8-11,14H,7,12-13,29H2,1-6H3,(H,30,37)
InChIKeyVZRHQWSRJDNPDU-UHFFFAOYSA-N
MW544.62 g/mol
LogP3.53
Rot. Bonds9

About 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide

4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide (PubChem CID 158988550) has the molecular formula C28H32N8O4 and a molecular weight of 544.62 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide
PubChem CID158988550
Molecular FormulaC28H32N8O4
Molecular Weight544.62 g/mol
Exact Mass544.25
IUPAC Name4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide
SMILESCCn1nc(C)c(C)c1-c1nc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)cc3c2cnn3C)c(CN)o1
InChIInChI=1S/C28H32N8O4/c1-7-36-26(15(2)16(3)34-36)28-33-25(23(12-29)40-28)24-19-14-31-35(4)21(19)11-20(32-24)27(37)30-13-17-8-9-18(38-5)10-22(17)39-6/h8-11,14H,7,12-13,29H2,1-6H3,(H,30,37)
InChIKeyVZRHQWSRJDNPDU-UHFFFAOYSA-N
XLogP3.53
TPSA148.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 165170483
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
4-[5-(tert-butylsulfinyliminomethyl)-2-[5-methyl-2-[3-(oxan-2-yloxy)propyl]pyrazol-3-yl]-1,3-thiazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide
CID 158516171
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
N-[(2,4-dimethoxyphenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
CID 20971831
ethyl 4-[6-[(2,4-dimethoxyphenyl)methylcarbamoyl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazin-8-yl]-2-(3-methyl-4-phenylmethoxy-1-propylpyrazol-5-yl)-1,3-oxazole-5-carboxylate
CID 170354705
N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170354643
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide (CID 158988550) is 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide is CCn1nc(C)c(C)c1-c1nc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)cc3c2cnn3C)c(CN)o1.
What is the InChIKey of 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide?
The InChIKey is VZRHQWSRJDNPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O4/c1-7-36-26(15(2)16(3)34-36)28-33-25(23(12-29)40-28)24-19-14-31-35(4)21(19)11-20(32-24)27(37)30-13-17-8-9-18(38-5)10-22(17)39-6/h8-11,14H,7,12-13,29H2,1-6H3,(H,30,37).
What are the key properties of 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide?
4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide has a molecular weight of 544.62 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-(2-ethyl-4,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 158988550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).