5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H17N5O2 — CID 46973621

IUPAC5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c[nH]n2c(=O)cc(Cc3c[nH]c4ccccc34)nc12
InChIInChI=1S/C22H17N5O2/c28-20-11-16(10-14-12-23-19-9-5-4-8-17(14)19)25-21-18(13-24-27(20)21)22(29)26-15-6-2-1-3-7-15/h1-9,11-13,23-24H,10H2,(H,26,29)
InChIKeyPQOLIMDOGBZVRC-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.35
Rot. Bonds4

About 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46973621) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46973621
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c[nH]n2c(=O)cc(Cc3c[nH]c4ccccc34)nc12
InChIInChI=1S/C22H17N5O2/c28-20-11-16(10-14-12-23-19-9-5-4-8-17(14)19)25-21-18(13-24-27(20)21)22(29)26-15-6-2-1-3-7-15/h1-9,11-13,23-24H,10H2,(H,26,29)
InChIKeyPQOLIMDOGBZVRC-UHFFFAOYSA-N
XLogP3.35
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152785745
5-[(4-cyanophenyl)methyl]-7-oxo-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624487
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578794
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46973621) is 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1c[nH]n2c(=O)cc(Cc3c[nH]c4ccccc34)nc12.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PQOLIMDOGBZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-20-11-16(10-14-12-23-19-9-5-4-8-17(14)19)25-21-18(13-24-27(20)21)22(29)26-15-6-2-1-3-7-15/h1-9,11-13,23-24H,10H2,(H,26,29).
What are the key properties of 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46973621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).