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

C26H28N10O — CID 118206938

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C26H28N10O/c1-17(2)32-22-11-24(36-25-19(14-31-36)10-18(12-27)13-30-25)29-16-21(22)26(37)33-23-5-4-20(15-28-23)35-8-6-34(3)7-9-35/h4-5,10-11,13-17H,6-9H2,1-3H3,(H,29,32)(H,28,33,37)
InChIKeyJAZQXACWPMKTTK-UHFFFAOYSA-N
MW496.58 g/mol
LogP2.91
Rot. Bonds6

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206938) has the molecular formula C26H28N10O and a molecular weight of 496.58 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206938
Molecular FormulaC26H28N10O
Molecular Weight496.58 g/mol
Exact Mass496.24
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C26H28N10O/c1-17(2)32-22-11-24(36-25-19(14-31-36)10-18(12-27)13-30-25)29-16-21(22)26(37)33-23-5-4-20(15-28-23)35-8-6-34(3)7-9-35/h4-5,10-11,13-17H,6-9H2,1-3H3,(H,29,32)(H,28,33,37)
InChIKeyJAZQXACWPMKTTK-UHFFFAOYSA-N
XLogP2.91
TPSA127.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206938) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is JAZQXACWPMKTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N10O/c1-17(2)32-22-11-24(36-25-19(14-31-36)10-18(12-27)13-30-25)29-16-21(22)26(37)33-23-5-4-20(15-28-23)35-8-6-34(3)7-9-35/h4-5,10-11,13-17H,6-9H2,1-3H3,(H,29,32)(H,28,33,37).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).