4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide

C25H31N5O2 — CID 92723497

IUPAC4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21
InChIInChI=1S/C25H31N5O2/c1-19(11-12-20-8-4-3-5-9-20)26-23(31)13-14-25(32)29-16-7-17-30-24(29)18-21(27-30)22-10-6-15-28(22)2/h3-6,8-10,15,18-19H,7,11-14,16-17H2,1-2H3,(H,26,31)/t19-/m0/s1
InChIKeyLPQRUSZCOASHJI-IBGZPJMESA-N
MW433.56 g/mol
LogP3.54
Rot. Bonds8

About 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide

4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide (PubChem CID 92723497) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide
PubChem CID92723497
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21
InChIInChI=1S/C25H31N5O2/c1-19(11-12-20-8-4-3-5-9-20)26-23(31)13-14-25(32)29-16-7-17-30-24(29)18-21(27-30)22-10-6-15-28(22)2/h3-6,8-10,15,18-19H,7,11-14,16-17H2,1-2H3,(H,26,31)/t19-/m0/s1
InChIKeyLPQRUSZCOASHJI-IBGZPJMESA-N
XLogP3.54
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide with MolForge

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Related Compounds

2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 46282371
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]butane-1,4-dione
CID 20929190
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 46282369
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 4991839
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
N-(3-methylbutyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282395
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
4-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide
CID 7318184
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide (CID 92723497) is 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide is C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21.
What is the InChIKey of 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The InChIKey is LPQRUSZCOASHJI-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31N5O2/c1-19(11-12-20-8-4-3-5-9-20)26-23(31)13-14-25(32)29-16-7-17-30-24(29)18-21(27-30)22-10-6-15-28(22)2/h3-6,8-10,15,18-19H,7,11-14,16-17H2,1-2H3,(H,26,31)/t19-/m0/s1.
What are the key properties of 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide?
4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide has a molecular weight of 433.56 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxo-N-[(2S)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 92723497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).