6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H33N7O2 — CID 77465692

IUPAC6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CNCCN)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C27H33N7O2/c1-16(2)34-25-23(15-31-34)21(26(35)30-14-22-17(3)10-18(4)32-27(22)36)12-24(33-25)20-7-5-6-19(11-20)13-29-9-8-28/h5-7,10-12,15-16,22,29H,8-9,13-14,28H2,1-4H3,(H,30,35)
InChIKeyASIWXNLVYIUZHO-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.02
Rot. Bonds9

About 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465692) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID77465692
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CNCCN)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C27H33N7O2/c1-16(2)34-25-23(15-31-34)21(26(35)30-14-22-17(3)10-18(4)32-27(22)36)12-24(33-25)20-7-5-6-19(11-20)13-29-9-8-28/h5-7,10-12,15-16,22,29H,8-9,13-14,28H2,1-4H3,(H,30,35)
InChIKeyASIWXNLVYIUZHO-UHFFFAOYSA-N
XLogP3.02
TPSA127.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465692) is 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CNCCN)c2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ASIWXNLVYIUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-16(2)34-25-23(15-31-34)21(26(35)30-14-22-17(3)10-18(4)32-27(22)36)12-24(33-25)20-7-5-6-19(11-20)13-29-9-8-28/h5-7,10-12,15-16,22,29H,8-9,13-14,28H2,1-4H3,(H,30,35).
What are the key properties of 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).