N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide

C22H25FN8O2 — CID 144881664

IUPACN-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)ncn2-c1cc(Nc2cnn(C)c2)c(C(=O)NCC(F)C(C)(C)O)cn1
InChIInChI=1S/C22H25FN8O2/c1-13-5-17-20(25-7-13)31(12-27-17)19-6-16(29-14-8-28-30(4)11-14)15(9-24-19)21(32)26-10-18(23)22(2,3)33/h5-9,11-12,18,33H,10H2,1-4H3,(H,24,29)(H,26,32)
InChIKeyQZWYKHFBJUBKCR-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.44
Rot. Bonds7

About N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide

N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 144881664) has the molecular formula C22H25FN8O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
PubChem CID144881664
Molecular FormulaC22H25FN8O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC NameN-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
SMILESCc1cnc2c(c1)ncn2-c1cc(Nc2cnn(C)c2)c(C(=O)NCC(F)C(C)(C)O)cn1
InChIInChI=1S/C22H25FN8O2/c1-13-5-17-20(25-7-13)31(12-27-17)19-6-16(29-14-8-28-30(4)11-14)15(9-24-19)21(32)26-10-18(23)22(2,3)33/h5-9,11-12,18,33H,10H2,1-4H3,(H,24,29)(H,26,32)
InChIKeyQZWYKHFBJUBKCR-UHFFFAOYSA-N
XLogP2.44
TPSA122.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 144881664) is N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide is Cc1cnc2c(c1)ncn2-c1cc(Nc2cnn(C)c2)c(C(=O)NCC(F)C(C)(C)O)cn1.
What is the InChIKey of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is QZWYKHFBJUBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2/c1-13-5-17-20(25-7-13)31(12-27-17)19-6-16(29-14-8-28-30(4)11-14)15(9-24-19)21(32)26-10-18(23)22(2,3)33/h5-9,11-12,18,33H,10H2,1-4H3,(H,24,29)(H,26,32).
What are the key properties of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?
N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(6-methylimidazo[4,5-b]pyridin-3-yl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 144881664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).