[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol

C20H16F3N5O — CID 118095083

IUPAC[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)12-4-6-14(7-5-12)25-17-10-13(24)9-15(26-17)19-16(11-29)27-18-3-1-2-8-28(18)19/h1-10,29H,11H2,(H3,24,25,26)
InChIKeyZJZAZLWOXMYUKV-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.23
Rot. Bonds4

About [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol

[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 118095083) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID118095083
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)12-4-6-14(7-5-12)25-17-10-13(24)9-15(26-17)19-16(11-29)27-18-3-1-2-8-28(18)19/h1-10,29H,11H2,(H3,24,25,26)
InChIKeyZJZAZLWOXMYUKV-UHFFFAOYSA-N
XLogP4.23
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol (CID 118095083) is [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol is Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccccn23)c1.
What is the InChIKey of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is ZJZAZLWOXMYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)12-4-6-14(7-5-12)25-17-10-13(24)9-15(26-17)19-16(11-29)27-18-3-1-2-8-28(18)19/h1-10,29H,11H2,(H3,24,25,26).
What are the key properties of [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
[3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 399.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 118095083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).