N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide

C20H25N5O3 — CID 139382380

IUPACN-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide
SMILESCNc1cc2cnn(C)c2c(OCCCC(O)C(NC=O)c2ccccc2)n1
InChIInChI=1S/C20H25N5O3/c1-21-17-11-15-12-23-25(2)19(15)20(24-17)28-10-6-9-16(27)18(22-13-26)14-7-4-3-5-8-14/h3-5,7-8,11-13,16,18,27H,6,9-10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyCGVJLQLKSWKPCM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.02
Rot. Bonds10

About N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide

N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide (PubChem CID 139382380) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide
PubChem CID139382380
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide
SMILESCNc1cc2cnn(C)c2c(OCCCC(O)C(NC=O)c2ccccc2)n1
InChIInChI=1S/C20H25N5O3/c1-21-17-11-15-12-23-25(2)19(15)20(24-17)28-10-6-9-16(27)18(22-13-26)14-7-4-3-5-8-14/h3-5,7-8,11-13,16,18,27H,6,9-10H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyCGVJLQLKSWKPCM-UHFFFAOYSA-N
XLogP2.02
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide?
The IUPAC name of N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide (CID 139382380) is N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide.
What is the SMILES notation for N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide?
The canonical SMILES for N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide is CNc1cc2cnn(C)c2c(OCCCC(O)C(NC=O)c2ccccc2)n1.
What is the InChIKey of N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide?
The InChIKey is CGVJLQLKSWKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-21-17-11-15-12-23-25(2)19(15)20(24-17)28-10-6-9-16(27)18(22-13-26)14-7-4-3-5-8-14/h3-5,7-8,11-13,16,18,27H,6,9-10H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide?
N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide has a molecular weight of 383.45 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[1-methyl-5-(methylamino)pyrazolo[3,4-c]pyridin-7-yl]oxy-1-phenylpentyl]formamide is sourced from PubChem (CID 139382380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).