N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide

C16H21F3N4O — CID 175727081

IUPACN-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(N[C@@H]1CCCn2cc(C(F)(F)F)nc21)C1CCNC2(CC2)C1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)12-9-23-7-1-2-11(13(23)22-12)21-14(24)10-3-6-20-15(8-10)4-5-15/h9-11,20H,1-8H2,(H,21,24)/t10?,11-/m1/s1
InChIKeyJDEQTCPGNGTSSM-RRKGBCIJSA-N
MW342.37 g/mol
LogP2.39
Rot. Bonds2

About N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide

N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 175727081) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID175727081
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC NameN-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(N[C@@H]1CCCn2cc(C(F)(F)F)nc21)C1CCNC2(CC2)C1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)12-9-23-7-1-2-11(13(23)22-12)21-14(24)10-3-6-20-15(8-10)4-5-15/h9-11,20H,1-8H2,(H,21,24)/t10?,11-/m1/s1
InChIKeyJDEQTCPGNGTSSM-RRKGBCIJSA-N
XLogP2.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide (CID 175727081) is N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide is O=C(N[C@@H]1CCCn2cc(C(F)(F)F)nc21)C1CCNC2(CC2)C1.
What is the InChIKey of N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is JDEQTCPGNGTSSM-RRKGBCIJSA-N. The full InChI is InChI=1S/C16H21F3N4O/c17-16(18,19)12-9-23-7-1-2-11(13(23)22-12)21-14(24)10-3-6-20-15(8-10)4-5-15/h9-11,20H,1-8H2,(H,21,24)/t10?,11-/m1/s1.
What are the key properties of N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 175727081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).