4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide

C22H26FN7O — CID 118206605

IUPAC4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(F)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)(C)C
InChIInChI=1S/C22H26FN7O/c1-21(2,3)29-17-9-18(26-13-16(17)20(31)25-7-6-22(4,5)23)30-19-15(12-28-30)8-14(10-24)11-27-19/h8-9,11-13H,6-7H2,1-5H3,(H,25,31)(H,26,29)
InChIKeySQEVLRXBGGYTTA-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.77
Rot. Bonds6

About 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide

4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 118206605) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide
PubChem CID118206605
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(F)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)(C)C
InChIInChI=1S/C22H26FN7O/c1-21(2,3)29-17-9-18(26-13-16(17)20(31)25-7-6-22(4,5)23)30-19-15(12-28-30)8-14(10-24)11-27-19/h8-9,11-13H,6-7H2,1-5H3,(H,25,31)(H,26,29)
InChIKeySQEVLRXBGGYTTA-UHFFFAOYSA-N
XLogP3.77
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide (CID 118206605) is 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide is CC(C)(F)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is SQEVLRXBGGYTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-21(2,3)29-17-9-18(26-13-16(17)20(31)25-7-6-22(4,5)23)30-19-15(12-28-30)8-14(10-24)11-27-19/h8-9,11-13H,6-7H2,1-5H3,(H,25,31)(H,26,29).
What are the key properties of 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide?
4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(3-fluoro-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 118206605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).