formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

C19H18N6O3 — CID 155937954

IUPACformic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)NCc1[nH]nc2ncccc12.O=CO
InChIInChI=1S/C18H16N6O.CH2O2/c1-11-15(16(23-21-11)12-6-3-2-4-7-12)18(25)20-10-14-13-8-5-9-19-17(13)24-22-14;2-1-3/h2-9H,10H2,1H3,(H,20,25)(H,21,23)(H,19,22,24);1H,(H,2,3)
InChIKeyPGZNTGHUAUDCPZ-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.29
Rot. Bonds4

About formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide

formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 155937954) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID155937954
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Nameformic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)NCc1[nH]nc2ncccc12.O=CO
InChIInChI=1S/C18H16N6O.CH2O2/c1-11-15(16(23-21-11)12-6-3-2-4-7-12)18(25)20-10-14-13-8-5-9-19-17(13)24-22-14;2-1-3/h2-9H,10H2,1H3,(H,20,25)(H,21,23)(H,19,22,24);1H,(H,2,3)
InChIKeyPGZNTGHUAUDCPZ-UHFFFAOYSA-N
XLogP2.29
TPSA136.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide (CID 155937954) is formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccccc2)c1C(=O)NCc1[nH]nc2ncccc12.O=CO.
What is the InChIKey of formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PGZNTGHUAUDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.CH2O2/c1-11-15(16(23-21-11)12-6-3-2-4-7-12)18(25)20-10-14-13-8-5-9-19-17(13)24-22-14;2-1-3/h2-9H,10H2,1H3,(H,20,25)(H,21,23)(H,19,22,24);1H,(H,2,3).
What are the key properties of formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide?
formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155937954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).