(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C18H21N3O2 — CID 100837272

IUPAC(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESC[C@@H]1Oc2c(C(=O)N[C@H]3CCc4nccn4C3)cccc2[C@@H]1C
InChIInChI=1S/C18H21N3O2/c1-11-12(2)23-17-14(11)4-3-5-15(17)18(22)20-13-6-7-16-19-8-9-21(16)10-13/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,20,22)/t11-,12+,13+/m1/s1
InChIKeyJQDPNCJNOJTHKC-AGIUHOORSA-N
MW311.38 g/mol
LogP2.51
Rot. Bonds2

About (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 100837272) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID100837272
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESC[C@@H]1Oc2c(C(=O)N[C@H]3CCc4nccn4C3)cccc2[C@@H]1C
InChIInChI=1S/C18H21N3O2/c1-11-12(2)23-17-14(11)4-3-5-15(17)18(22)20-13-6-7-16-19-8-9-21(16)10-13/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,20,22)/t11-,12+,13+/m1/s1
InChIKeyJQDPNCJNOJTHKC-AGIUHOORSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95780447
(2S,3S)-2-methyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129418427
2-propylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
CID 86772113
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)furan-3-carboxamide
CID 86771954
5-ethyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 95774212
(1S)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95134787
3-ethoxy-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]naphthalene-2-carboxamide
CID 95140145
2-(3-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide
CID 86768243
6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)quinoline-8-carboxamide
CID 86772174
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136995
3-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-2-carboxamide
CID 95765636

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 100837272) is (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is C[C@@H]1Oc2c(C(=O)N[C@H]3CCc4nccn4C3)cccc2[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is JQDPNCJNOJTHKC-AGIUHOORSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-12(2)23-17-14(11)4-3-5-15(17)18(22)20-13-6-7-16-19-8-9-21(16)10-13/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,20,22)/t11-,12+,13+/m1/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 100837272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).