1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide

C22H27N7O — CID 122293843

IUPAC1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(-c3ccccc3)nn2C)cc(N2CCCC2)n1
InChIInChI=1S/C22H27N7O/c1-16-25-20(15-21(26-16)29-12-6-7-13-29)23-10-11-24-22(30)19-14-18(27-28(19)2)17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,24,30)(H,23,25,26)
InChIKeyPEIXBYCLYMGGPG-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.63
Rot. Bonds7

About 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 122293843) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide
PubChem CID122293843
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(-c3ccccc3)nn2C)cc(N2CCCC2)n1
InChIInChI=1S/C22H27N7O/c1-16-25-20(15-21(26-16)29-12-6-7-13-29)23-10-11-24-22(30)19-14-18(27-28(19)2)17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,24,30)(H,23,25,26)
InChIKeyPEIXBYCLYMGGPG-UHFFFAOYSA-N
XLogP2.63
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122293873
1,3,5-trimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122293924
1,3,5-trimethyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122326520
2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326666
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122326307
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
3-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326664
3-(3-methoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
CID 122294975
1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122328299
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122318478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide (CID 122293843) is 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide is Cc1nc(NCCNC(=O)c2cc(-c3ccccc3)nn2C)cc(N2CCCC2)n1.
What is the InChIKey of 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is PEIXBYCLYMGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-16-25-20(15-21(26-16)29-12-6-7-13-29)23-10-11-24-22(30)19-14-18(27-28(19)2)17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H,24,30)(H,23,25,26).
What are the key properties of 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 122293843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).