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

C19H22N8O — CID 118206581

IUPAC6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cnc(-n2ncc3cc(C#N)c(N)nc32)cc1NC(C)C
InChIInChI=1S/C19H22N8O/c1-4-5-22-19(28)14-10-23-16(7-15(14)25-11(2)3)27-18-13(9-24-27)6-12(8-20)17(21)26-18/h6-7,9-11H,4-5H2,1-3H3,(H2,21,26)(H,22,28)(H,23,25)
InChIKeyTZAGTUBYAYQIAL-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.23
Rot. Bonds6

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

6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide (PubChem CID 118206581) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide
PubChem CID118206581
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cnc(-n2ncc3cc(C#N)c(N)nc32)cc1NC(C)C
InChIInChI=1S/C19H22N8O/c1-4-5-22-19(28)14-10-23-16(7-15(14)25-11(2)3)27-18-13(9-24-27)6-12(8-20)17(21)26-18/h6-7,9-11H,4-5H2,1-3H3,(H2,21,26)(H,22,28)(H,23,25)
InChIKeyTZAGTUBYAYQIAL-UHFFFAOYSA-N
XLogP2.23
TPSA134.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide (CID 118206581) is 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cnc(-n2ncc3cc(C#N)c(N)nc32)cc1NC(C)C.
What is the InChIKey of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide?
The InChIKey is TZAGTUBYAYQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-4-5-22-19(28)14-10-23-16(7-15(14)25-11(2)3)27-18-13(9-24-27)6-12(8-20)17(21)26-18/h6-7,9-11H,4-5H2,1-3H3,(H2,21,26)(H,22,28)(H,23,25).
What are the key properties of 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide?
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 118206581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).