6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C25H26N10O — CID 118206824

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C25H26N10O/c1-16(2)32-21-10-23(35-24-18(13-31-35)9-17(11-26)12-30-24)29-15-20(21)25(36)33-19-3-4-22(28-14-19)34-7-5-27-6-8-34/h3-4,9-10,12-16,27H,5-8H2,1-2H3,(H,29,32)(H,33,36)
InChIKeyLXYSEDXJTKGDDP-UHFFFAOYSA-N
MW482.55 g/mol
LogP2.56
Rot. Bonds6

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206824) has the molecular formula C25H26N10O and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206824
Molecular FormulaC25H26N10O
Molecular Weight482.55 g/mol
Exact Mass482.23
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C25H26N10O/c1-16(2)32-21-10-23(35-24-18(13-31-35)9-17(11-26)12-30-24)29-15-20(21)25(36)33-19-3-4-22(28-14-19)34-7-5-27-6-8-34/h3-4,9-10,12-16,27H,5-8H2,1-2H3,(H,29,32)(H,33,36)
InChIKeyLXYSEDXJTKGDDP-UHFFFAOYSA-N
XLogP2.56
TPSA136.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206824) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCNCC2)nc1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is LXYSEDXJTKGDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N10O/c1-16(2)32-21-10-23(35-24-18(13-31-35)9-17(11-26)12-30-24)29-15-20(21)25(36)33-19-3-4-22(28-14-19)34-7-5-27-6-8-34/h3-4,9-10,12-16,27H,5-8H2,1-2H3,(H,29,32)(H,33,36).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).