2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine

C19H17F3N6O — CID 175708460

IUPAC2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOCCC(c1ccc(-n2cc(-c3nc4ncccc4[nH]3)cn2)nc1)C(F)(F)F
InChIInChI=1S/C19H17F3N6O/c1-29-8-6-14(19(20,21)22)12-4-5-16(24-9-12)28-11-13(10-25-28)17-26-15-3-2-7-23-18(15)27-17/h2-5,7,9-11,14H,6,8H2,1H3,(H,23,26,27)
InChIKeyFXZOAAHLSSRWOG-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.89
Rot. Bonds6

About 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine

2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 175708460) has the molecular formula C19H17F3N6O and a molecular weight of 402.38 g/mol. Its IUPAC name is 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID175708460
Molecular FormulaC19H17F3N6O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOCCC(c1ccc(-n2cc(-c3nc4ncccc4[nH]3)cn2)nc1)C(F)(F)F
InChIInChI=1S/C19H17F3N6O/c1-29-8-6-14(19(20,21)22)12-4-5-16(24-9-12)28-11-13(10-25-28)17-26-15-3-2-7-23-18(15)27-17/h2-5,7,9-11,14H,6,8H2,1H3,(H,23,26,27)
InChIKeyFXZOAAHLSSRWOG-UHFFFAOYSA-N
XLogP3.89
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine (CID 175708460) is 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine is COCCC(c1ccc(-n2cc(-c3nc4ncccc4[nH]3)cn2)nc1)C(F)(F)F.
What is the InChIKey of 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is FXZOAAHLSSRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O/c1-29-8-6-14(19(20,21)22)12-4-5-16(24-9-12)28-11-13(10-25-28)17-26-15-3-2-7-23-18(15)27-17/h2-5,7,9-11,14H,6,8H2,1H3,(H,23,26,27).
What are the key properties of 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine?
2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 402.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(1,1,1-trifluoro-4-methoxybutan-2-yl)-2-pyridinyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 175708460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).