5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H29N7O — CID 58063418

IUPAC5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2ccc(NCc3ccccc3N3CCN(C)CC3)nc12
InChIInChI=1S/C22H29N7O/c1-16(2)25-22(30)18-15-24-29-9-8-20(26-21(18)29)23-14-17-6-4-5-7-19(17)28-12-10-27(3)11-13-28/h4-9,15-16H,10-14H2,1-3H3,(H,23,26)(H,25,30)
InChIKeyCMYCSNUVZNDDEY-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.23
Rot. Bonds6

About 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063418) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063418
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2ccc(NCc3ccccc3N3CCN(C)CC3)nc12
InChIInChI=1S/C22H29N7O/c1-16(2)25-22(30)18-15-24-29-9-8-20(26-21(18)29)23-14-17-6-4-5-7-19(17)28-12-10-27(3)11-13-28/h4-9,15-16H,10-14H2,1-3H3,(H,23,26)(H,25,30)
InChIKeyCMYCSNUVZNDDEY-UHFFFAOYSA-N
XLogP2.23
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,6-dimethoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063283
5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677802
5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063170
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518
5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063445
5-[(3-methylimidazol-4-yl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676454
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801
5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154402511
1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 75384454
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
5-(2-hydroxyethylamino)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677577

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063418) is 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)NC(=O)c1cnn2ccc(NCc3ccccc3N3CCN(C)CC3)nc12.
What is the InChIKey of 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CMYCSNUVZNDDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-16(2)25-22(30)18-15-24-29-9-8-20(26-21(18)29)23-14-17-6-4-5-7-19(17)28-12-10-27(3)11-13-28/h4-9,15-16H,10-14H2,1-3H3,(H,23,26)(H,25,30).
What are the key properties of 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).