2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H26N6O2 — CID 118232742

IUPAC2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCCC3)cn2n1
InChIInChI=1S/C18H26N6O2/c1-13-8-15-19-9-14(11-24(15)22-13)17(26)20-12-18(2,3)21-10-16(25)23-6-4-5-7-23/h8-9,11,21H,4-7,10,12H2,1-3H3,(H,20,26)
InChIKeyMNCZRPMVVDGJLI-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.76
Rot. Bonds6

About 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 118232742) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID118232742
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCCC3)cn2n1
InChIInChI=1S/C18H26N6O2/c1-13-8-15-19-9-14(11-24(15)22-13)17(26)20-12-18(2,3)21-10-16(25)23-6-4-5-7-23/h8-9,11,21H,4-7,10,12H2,1-3H3,(H,20,26)
InChIKeyMNCZRPMVVDGJLI-UHFFFAOYSA-N
XLogP0.76
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
CID 57395914
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 54948974
2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 47156057
N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
CID 91819605
2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
CID 113229337
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90974286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 118232742) is 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCCC3)cn2n1.
What is the InChIKey of 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MNCZRPMVVDGJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-8-15-19-9-14(11-24(15)22-13)17(26)20-12-18(2,3)21-10-16(25)23-6-4-5-7-23/h8-9,11,21H,4-7,10,12H2,1-3H3,(H,20,26).
What are the key properties of 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118232742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).