(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide

C19H23F3N4O2 — CID 130361425

IUPAC(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC1(n2c(NC(=O)C[C@@](C)(O)C3CC3)nc3ccc(C(F)(F)F)nc32)CCC1
InChIInChI=1S/C19H23F3N4O2/c1-17(8-3-9-17)26-15-12(6-7-13(24-15)19(20,21)22)23-16(26)25-14(27)10-18(2,28)11-4-5-11/h6-7,11,28H,3-5,8-10H2,1-2H3,(H,23,25,27)/t18-/m1/s1
InChIKeyRYRNKVLMHYBGNV-GOSISDBHSA-N
MW396.41 g/mol
LogP3.84
Rot. Bonds5

About (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide

(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 130361425) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID130361425
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC1(n2c(NC(=O)C[C@@](C)(O)C3CC3)nc3ccc(C(F)(F)F)nc32)CCC1
InChIInChI=1S/C19H23F3N4O2/c1-17(8-3-9-17)26-15-12(6-7-13(24-15)19(20,21)22)23-16(26)25-14(27)10-18(2,28)11-4-5-11/h6-7,11,28H,3-5,8-10H2,1-2H3,(H,23,25,27)/t18-/m1/s1
InChIKeyRYRNKVLMHYBGNV-GOSISDBHSA-N
XLogP3.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 130361425) is (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide is CC1(n2c(NC(=O)C[C@@](C)(O)C3CC3)nc3ccc(C(F)(F)F)nc32)CCC1.
What is the InChIKey of (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is RYRNKVLMHYBGNV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-17(8-3-9-17)26-15-12(6-7-13(24-15)19(20,21)22)23-16(26)25-14(27)10-18(2,28)11-4-5-11/h6-7,11,28H,3-5,8-10H2,1-2H3,(H,23,25,27)/t18-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide?
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 396.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 130361425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).