3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

C27H29F2N3O2 — CID 11259845

IUPAC3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CC1CC1)CC1CCc3[nH]c4ccc(F)cc4c3C1)CO2
InChIInChI=1S/C27H29F2N3O2/c28-17-4-8-25-21(10-17)20-9-16(3-7-24(20)31-25)13-32(12-15-1-2-15)18-11-22-19(27(30)33)5-6-23(29)26(22)34-14-18/h4-6,8,10,15-16,18,31H,1-3,7,9,11-14H2,(H2,30,33)
InChIKeyRBRHSYULRVRCBX-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.37
Rot. Bonds6

About 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11259845) has the molecular formula C27H29F2N3O2 and a molecular weight of 465.54 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11259845
Molecular FormulaC27H29F2N3O2
Molecular Weight465.54 g/mol
Exact Mass465.22
IUPAC Name3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1CC(N(CC1CC1)CC1CCc3[nH]c4ccc(F)cc4c3C1)CO2
InChIInChI=1S/C27H29F2N3O2/c28-17-4-8-25-21(10-17)20-9-16(3-7-24(20)31-25)13-32(12-15-1-2-15)18-11-22-19(27(30)33)5-6-23(29)26(22)34-14-18/h4-6,8,10,15-16,18,31H,1-3,7,9,11-14H2,(H2,30,33)
InChIKeyRBRHSYULRVRCBX-UHFFFAOYSA-N
XLogP4.37
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 11259845) is 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1CC(N(CC1CC1)CC1CCc3[nH]c4ccc(F)cc4c3C1)CO2.
What is the InChIKey of 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is RBRHSYULRVRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O2/c28-17-4-8-25-21(10-17)20-9-16(3-7-24(20)31-25)13-32(12-15-1-2-15)18-11-22-19(27(30)33)5-6-23(29)26(22)34-14-18/h4-6,8,10,15-16,18,31H,1-3,7,9,11-14H2,(H2,30,33).
What are the key properties of 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11259845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).