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

C24H24N8O2 — CID 118206707

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(C(C)(C)O)cn1
InChIInChI=1S/C24H24N8O2/c1-14(2)30-19-8-21(32-22-16(11-29-32)7-15(9-25)10-28-22)27-13-18(19)23(33)31-20-6-5-17(12-26-20)24(3,4)34/h5-8,10-14,34H,1-4H3,(H,27,30)(H,26,31,33)
InChIKeyOIUBHJUQMIILRQ-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.38
Rot. Bonds6

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206707) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206707
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(C(C)(C)O)cn1
InChIInChI=1S/C24H24N8O2/c1-14(2)30-19-8-21(32-22-16(11-29-32)7-15(9-25)10-28-22)27-13-18(19)23(33)31-20-6-5-17(12-26-20)24(3,4)34/h5-8,10-14,34H,1-4H3,(H,27,30)(H,26,31,33)
InChIKeyOIUBHJUQMIILRQ-UHFFFAOYSA-N
XLogP3.38
TPSA141.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-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-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206707) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-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-(2-hydroxypropan-2-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-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(C(C)(C)O)cn1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OIUBHJUQMIILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-14(2)30-19-8-21(32-22-16(11-29-32)7-15(9-25)10-28-22)27-13-18(19)23(33)31-20-6-5-17(12-26-20)24(3,4)34/h5-8,10-14,34H,1-4H3,(H,27,30)(H,26,31,33).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).