3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide

C17H14F3N5O2 — CID 164564792

IUPAC3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1cc2[nH]c(-c3ccnc(C(F)(F)F)n3)cc2cn1)C1CC(O)C1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)16-21-2-1-11(24-16)13-5-9-7-22-14(6-12(9)23-13)25-15(27)8-3-10(26)4-8/h1-2,5-8,10,23,26H,3-4H2,(H,22,25,27)
InChIKeyHIHDMOWQURBKIX-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.75
Rot. Bonds3

About 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide

3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide (PubChem CID 164564792) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide
PubChem CID164564792
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1cc2[nH]c(-c3ccnc(C(F)(F)F)n3)cc2cn1)C1CC(O)C1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)16-21-2-1-11(24-16)13-5-9-7-22-14(6-12(9)23-13)25-15(27)8-3-10(26)4-8/h1-2,5-8,10,23,26H,3-4H2,(H,22,25,27)
InChIKeyHIHDMOWQURBKIX-UHFFFAOYSA-N
XLogP2.75
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

iron;N-[2-(2-methanidylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 171432742
N-[2-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097714
N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097673
N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide
CID 164564726
N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 169097630
N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]oxane-3-carboxamide
CID 164564847
1-methyl-N-[2-[2-(1,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479516
1,3-dimethyl-N-[2-[2-(1,1,3-trifluoropropan-2-yloxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479528
1-propan-2-yl-N-[2-(2-propan-2-yloxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 171432764
1,1-dimethyl-3-[2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]urea
CID 169097700
2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid
CID 166398793
ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen
CID 164564840

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide (CID 164564792) is 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide is O=C(Nc1cc2[nH]c(-c3ccnc(C(F)(F)F)n3)cc2cn1)C1CC(O)C1.
What is the InChIKey of 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide?
The InChIKey is HIHDMOWQURBKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)16-21-2-1-11(24-16)13-5-9-7-22-14(6-12(9)23-13)25-15(27)8-3-10(26)4-8/h1-2,5-8,10,23,26H,3-4H2,(H,22,25,27).
What are the key properties of 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide?
3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 164564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).