3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide

C27H29N7O2 — CID 122295727

IUPAC3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(Nc4cc(C)nc(N5CCCC5)n4)cc3)n(C)n2)c1
InChIInChI=1S/C27H29N7O2/c1-18-15-25(31-27(28-18)34-13-4-5-14-34)29-20-9-11-21(12-10-20)30-26(35)24-17-23(32-33(24)2)19-7-6-8-22(16-19)36-3/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,30,35)(H,28,29,31)
InChIKeyXCNMVRHPLKVROR-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.79
Rot. Bonds7

About 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide (PubChem CID 122295727) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
PubChem CID122295727
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(Nc4cc(C)nc(N5CCCC5)n4)cc3)n(C)n2)c1
InChIInChI=1S/C27H29N7O2/c1-18-15-25(31-27(28-18)34-13-4-5-14-34)29-20-9-11-21(12-10-20)30-26(35)24-17-23(32-33(24)2)19-7-6-8-22(16-19)36-3/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,30,35)(H,28,29,31)
InChIKeyXCNMVRHPLKVROR-UHFFFAOYSA-N
XLogP4.79
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide
CID 122295622
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772
1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122295961
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122326061
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122296841
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
3-(3-methoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
CID 122294975
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122295615
3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide
CID 90544707
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide (CID 122295727) is 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(Nc4cc(C)nc(N5CCCC5)n4)cc3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide?
The InChIKey is XCNMVRHPLKVROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-18-15-25(31-27(28-18)34-13-4-5-14-34)29-20-9-11-21(12-10-20)30-26(35)24-17-23(32-33(24)2)19-7-6-8-22(16-19)36-3/h6-12,15-17H,4-5,13-14H2,1-3H3,(H,30,35)(H,28,29,31).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122295727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).