1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol

C17H12F3N5O — CID 122654553

IUPAC1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
SMILESOC1(c2nc3ccc(C(F)(F)F)nc3n2-c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)13-4-3-12-14(23-13)25(15(22-12)16(26)5-6-16)10-1-2-11-9(7-10)8-21-24-11/h1-4,7-8,26H,5-6H2,(H,21,24)
InChIKeyOWEKGEOXCMANTB-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.30
Rot. Bonds2

About 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol

1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol (PubChem CID 122654553) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
PubChem CID122654553
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
SMILESOC1(c2nc3ccc(C(F)(F)F)nc3n2-c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)13-4-3-12-14(23-13)25(15(22-12)16(26)5-6-16)10-1-2-11-9(7-10)8-21-24-11/h1-4,7-8,26H,5-6H2,(H,21,24)
InChIKeyOWEKGEOXCMANTB-UHFFFAOYSA-N
XLogP3.30
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol (CID 122654553) is 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol is OC1(c2nc3ccc(C(F)(F)F)nc3n2-c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol?
The InChIKey is OWEKGEOXCMANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)13-4-3-12-14(23-13)25(15(22-12)16(26)5-6-16)10-1-2-11-9(7-10)8-21-24-11/h1-4,7-8,26H,5-6H2,(H,21,24).
What are the key properties of 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol?
1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol has a molecular weight of 359.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 122654553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).