N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H27N5O2 — CID 95727518

IUPACN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)N[C@H]3CC(=O)N(C4CCCCCC4)C3)cc(C)n2n1
InChIInChI=1S/C20H27N5O2/c1-13-9-18-22-17(10-14(2)25(18)23-13)20(27)21-15-11-19(26)24(12-15)16-7-5-3-4-6-8-16/h9-10,15-16H,3-8,11-12H2,1-2H3,(H,21,27)/t15-/m0/s1
InChIKeyPGYGVNKDPYGCNC-HNNXBMFYSA-N
MW369.47 g/mol
LogP2.40
Rot. Bonds3

About N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 95727518) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID95727518
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)N[C@H]3CC(=O)N(C4CCCCCC4)C3)cc(C)n2n1
InChIInChI=1S/C20H27N5O2/c1-13-9-18-22-17(10-14(2)25(18)23-13)20(27)21-15-11-19(26)24(12-15)16-7-5-3-4-6-8-16/h9-10,15-16H,3-8,11-12H2,1-2H3,(H,21,27)/t15-/m0/s1
InChIKeyPGYGVNKDPYGCNC-HNNXBMFYSA-N
XLogP2.40
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 95727518) is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)N[C@H]3CC(=O)N(C4CCCCCC4)C3)cc(C)n2n1.
What is the InChIKey of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is PGYGVNKDPYGCNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-9-18-22-17(10-14(2)25(18)23-13)20(27)21-15-11-19(26)24(12-15)16-7-5-3-4-6-8-16/h9-10,15-16H,3-8,11-12H2,1-2H3,(H,21,27)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 95727518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).