(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C19H23ClN4O3 — CID 155871938

IUPAC(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2
InChIInChI=1S/C19H23ClN4O3/c1-12(2)21-18(26)19-6-8-27-15(19)5-7-23(11-19)17(25)14-10-24-9-13(20)3-4-16(24)22-14/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H,21,26)/t15-,19-/m1/s1
InChIKeyYYHRMPRJZVRZRR-DNVCBOLYSA-N
MW390.87 g/mol
LogP2.13
Rot. Bonds3

About (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 155871938) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID155871938
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2
InChIInChI=1S/C19H23ClN4O3/c1-12(2)21-18(26)19-6-8-27-15(19)5-7-23(11-19)17(25)14-10-24-9-13(20)3-4-16(24)22-14/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H,21,26)/t15-,19-/m1/s1
InChIKeyYYHRMPRJZVRZRR-DNVCBOLYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 155871938) is (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2.
What is the InChIKey of (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is YYHRMPRJZVRZRR-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12(2)21-18(26)19-6-8-27-15(19)5-7-23(11-19)17(25)14-10-24-9-13(20)3-4-16(24)22-14/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H,21,26)/t15-,19-/m1/s1.
What are the key properties of (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 155871938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).