(3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

C21H27N3O2 — CID 97461444

IUPAC(3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCn1cc(CN2CC[C@H]3O[C@H](C(=O)NC4CC4)CC[C@H]32)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-23-12-14(16-4-2-3-5-17(16)23)13-24-11-10-19-18(24)8-9-20(26-19)21(25)22-15-6-7-15/h2-5,12,15,18-20H,6-11,13H2,1H3,(H,22,25)/t18-,19-,20+/m1/s1
InChIKeyUVCCCGVERARQJU-AQNXPRMDSA-N
MW353.47 g/mol
LogP2.58
Rot. Bonds4

About (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

(3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (PubChem CID 97461444) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
PubChem CID97461444
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCn1cc(CN2CC[C@H]3O[C@H](C(=O)NC4CC4)CC[C@H]32)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-23-12-14(16-4-2-3-5-17(16)23)13-24-11-10-19-18(24)8-9-20(26-19)21(25)22-15-6-7-15/h2-5,12,15,18-20H,6-11,13H2,1H3,(H,22,25)/t18-,19-,20+/m1/s1
InChIKeyUVCCCGVERARQJU-AQNXPRMDSA-N
XLogP2.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

(3aR,5S,7aR)-1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97415831
(3aR,5S,7aR)-N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461442
1-[(1-methylindol-3-yl)methyl]azepane-2-carboxylic acid
CID 65069474
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
(1S,11R)-9-methyl-2-[(1-methylindol-3-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199415
(3aR,5R,7aR)-1-(furan-2-ylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461751
(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124815692
N-[3-fluoro-2-(hydroxymethyl)phenyl]-1-[(1-methylindol-3-yl)methyl]azetidine-2-carboxamide
CID 172895467
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
(3aR,5S,7aR)-N-methyl-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380072
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380027

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (CID 97461444) is (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is Cn1cc(CN2CC[C@H]3O[C@H](C(=O)NC4CC4)CC[C@H]32)c2ccccc21.
What is the InChIKey of (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UVCCCGVERARQJU-AQNXPRMDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-12-14(16-4-2-3-5-17(16)23)13-24-11-10-19-18(24)8-9-20(26-19)21(25)22-15-6-7-15/h2-5,12,15,18-20H,6-11,13H2,1H3,(H,22,25)/t18-,19-,20+/m1/s1.
What are the key properties of (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
(3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,7aR)-N-cyclopropyl-1-[(1-methylindol-3-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 97461444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).