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

C25H25N9O2 — CID 118206892

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C25H25N9O2/c1-16(2)31-21-10-23(34-24-18(13-30-34)9-17(11-26)12-29-24)28-15-20(21)25(35)32-22-4-3-19(14-27-22)33-5-7-36-8-6-33/h3-4,9-10,12-16H,5-8H2,1-2H3,(H,28,31)(H,27,32,35)
InChIKeyTXXZJTQDYJOAQS-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.99
Rot. Bonds6

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

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206892) has the molecular formula C25H25N9O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206892
Molecular FormulaC25H25N9O2
Molecular Weight483.54 g/mol
Exact Mass483.21
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C25H25N9O2/c1-16(2)31-21-10-23(34-24-18(13-30-34)9-17(11-26)12-29-24)28-15-20(21)25(35)32-22-4-3-19(14-27-22)33-5-7-36-8-6-33/h3-4,9-10,12-16H,5-8H2,1-2H3,(H,28,31)(H,27,32,35)
InChIKeyTXXZJTQDYJOAQS-UHFFFAOYSA-N
XLogP2.99
TPSA133.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.99
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-morpholin-4-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-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206892) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-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-morpholin-4-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-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is TXXZJTQDYJOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c1-16(2)31-21-10-23(34-24-18(13-30-34)9-17(11-26)12-29-24)28-15-20(21)25(35)32-22-4-3-19(14-27-22)33-5-7-36-8-6-33/h3-4,9-10,12-16H,5-8H2,1-2H3,(H,28,31)(H,27,32,35).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.99, 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-morpholin-4-yl-2-pyridinyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).