5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H28N4O3 — CID 98061971

IUPAC5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CCC[C@H](OC)C3)cc2n1
InChIInChI=1S/C20H28N4O3/c1-3-14-11-19(25)24-18(21-14)12-16(22-24)17-8-5-9-23(17)20(26)13-6-4-7-15(10-13)27-2/h11-13,15,17,22H,3-10H2,1-2H3/t13-,15+,17+/m1/s1
InChIKeyZSJZZIKPNJAOQL-KMFMINBZSA-N
MW372.47 g/mol
LogP2.45
Rot. Bonds4

About 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061971) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061971
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CCC[C@H](OC)C3)cc2n1
InChIInChI=1S/C20H28N4O3/c1-3-14-11-19(25)24-18(21-14)12-16(22-24)17-8-5-9-23(17)20(26)13-6-4-7-15(10-13)27-2/h11-13,15,17,22H,3-10H2,1-2H3/t13-,15+,17+/m1/s1
InChIKeyZSJZZIKPNJAOQL-KMFMINBZSA-N
XLogP2.45
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214826
5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216075
2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216072
5-ethyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215994
5-ethyl-2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46955804
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215997
2-[(2S)-1-(3-methoxypropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98079549
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214767
2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98079538
11-(cyclobutanecarbonyl)-5-[(2S)-1-propanoylpiperidin-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98083442

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98061971) is 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CCC[C@H](OC)C3)cc2n1.
What is the InChIKey of 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZSJZZIKPNJAOQL-KMFMINBZSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-14-11-19(25)24-18(21-14)12-16(22-24)17-8-5-9-23(17)20(26)13-6-4-7-15(10-13)27-2/h11-13,15,17,22H,3-10H2,1-2H3/t13-,15+,17+/m1/s1.
What are the key properties of 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 372.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).