N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C26H36FN7O2 — CID 144881721

IUPACN-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)CC(=O)NCc1cnc2c(cnn2-c2cc(NC(C)C)c(C(=O)NCC(F)C(C)C)cn2)c1
InChIInChI=1S/C26H36FN7O2/c1-15(2)7-24(35)29-10-18-8-19-12-32-34(25(19)30-11-18)23-9-22(33-17(5)6)20(13-28-23)26(36)31-14-21(27)16(3)4/h8-9,11-13,15-17,21H,7,10,14H2,1-6H3,(H,28,33)(H,29,35)(H,31,36)
InChIKeyOEEKYGULGJOPPG-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.02
Rot. Bonds11

About N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide

N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 144881721) has the molecular formula C26H36FN7O2 and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID144881721
Molecular FormulaC26H36FN7O2
Molecular Weight497.62 g/mol
Exact Mass497.29
IUPAC NameN-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)CC(=O)NCc1cnc2c(cnn2-c2cc(NC(C)C)c(C(=O)NCC(F)C(C)C)cn2)c1
InChIInChI=1S/C26H36FN7O2/c1-15(2)7-24(35)29-10-18-8-19-12-32-34(25(19)30-11-18)23-9-22(33-17(5)6)20(13-28-23)26(36)31-14-21(27)16(3)4/h8-9,11-13,15-17,21H,7,10,14H2,1-6H3,(H,28,33)(H,29,35)(H,31,36)
InChIKeyOEEKYGULGJOPPG-UHFFFAOYSA-N
XLogP4.02
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 144881721) is N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)CC(=O)NCc1cnc2c(cnn2-c2cc(NC(C)C)c(C(=O)NCC(F)C(C)C)cn2)c1.
What is the InChIKey of N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OEEKYGULGJOPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN7O2/c1-15(2)7-24(35)29-10-18-8-19-12-32-34(25(19)30-11-18)23-9-22(33-17(5)6)20(13-28-23)26(36)31-14-21(27)16(3)4/h8-9,11-13,15-17,21H,7,10,14H2,1-6H3,(H,28,33)(H,29,35)(H,31,36).
What are the key properties of N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 4.02, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylbutyl)-6-[5-[(3-methylbutanoylamino)methyl]pyrazolo[5,4-b]pyridin-1-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 144881721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).