N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H21N5O3 — CID 98339477

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c(=O)n2[nH]1
InChIInChI=1S/C18H21N5O3/c1-12-9-16-19-10-13(18(25)23(16)21-12)17(24)20-11-14(15-5-4-8-26-15)22-6-2-3-7-22/h4-5,8-10,14,21H,2-3,6-7,11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyPSVRLFDJMRDUEY-AWEZNQCLSA-N
MW355.40 g/mol
LogP1.49
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 98339477) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID98339477
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c(=O)n2[nH]1
InChIInChI=1S/C18H21N5O3/c1-12-9-16-19-10-13(18(25)23(16)21-12)17(24)20-11-14(15-5-4-8-26-15)22-6-2-3-7-22/h4-5,8-10,14,21H,2-3,6-7,11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyPSVRLFDJMRDUEY-AWEZNQCLSA-N
XLogP1.49
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94176269
2-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylpyrimidine-5-carboxamide
CID 95122584
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18161323

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 98339477) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c(=O)n2[nH]1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PSVRLFDJMRDUEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-9-16-19-10-13(18(25)23(16)21-12)17(24)20-11-14(15-5-4-8-26-15)22-6-2-3-7-22/h4-5,8-10,14,21H,2-3,6-7,11H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98339477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).