N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide

C22H21N7O — CID 71253477

IUPACN-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1
InChIInChI=1S/C22H21N7O/c30-22(26-15-6-9-23-10-7-15)18-5-1-4-17(27-18)21-16-11-19(14-3-2-8-24-12-14)25-13-20(16)28-29-21/h1-5,8,11-13,15,23H,6-7,9-10H2,(H,26,30)(H,28,29)
InChIKeyBBVLEPANAGCAJE-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.56
Rot. Bonds4

About N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide

N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide (PubChem CID 71253477) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide
PubChem CID71253477
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1
InChIInChI=1S/C22H21N7O/c30-22(26-15-6-9-23-10-7-15)18-5-1-4-17(27-18)21-16-11-19(14-3-2-8-24-12-14)25-13-20(16)28-29-21/h1-5,8,11-13,15,23H,6-7,9-10H2,(H,26,30)(H,28,29)
InChIKeyBBVLEPANAGCAJE-UHFFFAOYSA-N
XLogP2.56
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide (CID 71253477) is N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide is O=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1.
What is the InChIKey of N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide?
The InChIKey is BBVLEPANAGCAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(26-15-6-9-23-10-7-15)18-5-1-4-17(27-18)21-16-11-19(14-3-2-8-24-12-14)25-13-20(16)28-29-21/h1-5,8,11-13,15,23H,6-7,9-10H2,(H,26,30)(H,28,29).
What are the key properties of N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide?
N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71253477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).