2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H31N5O2 — CID 124972680

IUPAC2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCN3CC3CC3)[nH]n2c(=O)c1CCC(=O)N1CCCC1
InChIInChI=1S/C22H31N5O2/c1-15-17(8-9-21(28)25-10-2-3-11-25)22(29)27-20(23-15)13-18(24-27)19-5-4-12-26(19)14-16-6-7-16/h13,16,19,24H,2-12,14H2,1H3/t19-/m0/s1
InChIKeyPVOZZTIWCITMHI-IBGZPJMESA-N
MW397.52 g/mol
LogP2.43
Rot. Bonds6

About 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 124972680) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID124972680
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCN3CC3CC3)[nH]n2c(=O)c1CCC(=O)N1CCCC1
InChIInChI=1S/C22H31N5O2/c1-15-17(8-9-21(28)25-10-2-3-11-25)22(29)27-20(23-15)13-18(24-27)19-5-4-12-26(19)14-16-6-7-16/h13,16,19,24H,2-12,14H2,1H3/t19-/m0/s1
InChIKeyPVOZZTIWCITMHI-IBGZPJMESA-N
XLogP2.43
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124982212
5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124965663
2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-6-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124961630
5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110259276
3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 125018564
2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643
N-cyclopentyl-3-[2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110087985
5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-12-(2-methylpropanoyl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110227218
3-[2-[(3R)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 124986576
5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130193018
2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-3-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 110214697
3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 110091516

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 124972680) is 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc([C@@H]3CCCN3CC3CC3)[nH]n2c(=O)c1CCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PVOZZTIWCITMHI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N5O2/c1-15-17(8-9-21(28)25-10-2-3-11-25)22(29)27-20(23-15)13-18(24-27)19-5-4-12-26(19)14-16-6-7-16/h13,16,19,24H,2-12,14H2,1H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 397.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 124972680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).