N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13N5O2 — CID 58056134

IUPACN-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2cc[nH]c2cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H13N5O2/c1-23-14-7-10-3-5-17-12(10)8-13(14)20-16(22)11-9-19-21-6-2-4-18-15(11)21/h2-9,17H,1H3,(H,20,22)
InChIKeyPEDDPGPEKWMKNW-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.47
Rot. Bonds3

About N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056134) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056134
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2cc[nH]c2cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H13N5O2/c1-23-14-7-10-3-5-17-12(10)8-13(14)20-16(22)11-9-19-21-6-2-4-18-15(11)21/h2-9,17H,1H3,(H,20,22)
InChIKeyPEDDPGPEKWMKNW-UHFFFAOYSA-N
XLogP2.47
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide
CID 25182616
2-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide
CID 25211575
2-[(2-{[2-methoxy-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218597
2-({2-[(1-acetyl-5-methoxy-2,3-dihydro-1H-indol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide
CID 25218574
2-fluoro-6-[(2-{[1-glycyl-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218575
2-fluoro-6-[(2-{[1-(N-methylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218576
2-({2-[(1-{2-[ethyl(methyl)amino]acetyl}-5-methoxy-2,3-dihydro-1H-indol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide
CID 25218577
2-{[2-({1-[2-(diethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218579
2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218585
2-fluoro-6-{[2-({5-methoxy-1-[3-(morpholin-4-yl)propanoyl]-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218586
2-{[2-({1-[2-(dimethylamino)ethyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218588
N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056134) is N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc2cc[nH]c2cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PEDDPGPEKWMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-23-14-7-10-3-5-17-12(10)8-13(14)20-16(22)11-9-19-21-6-2-4-18-15(11)21/h2-9,17H,1H3,(H,20,22).
What are the key properties of N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).