(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

C28H26N4O3 — CID 158765559

IUPAC(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1occc1CNc1ccc2c(c1)CC=N2
InChIInChI=1S/C28H26N4O3/c1-29-27(33)25-14-23-20(12-17-4-2-3-5-22(17)23)16-32(25)28(34)26-19(9-11-35-26)15-31-21-6-7-24-18(13-21)8-10-30-24/h2-7,9-11,13,25,31H,8,12,14-16H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyIPFFPVHNVMFSQO-RUZDIDTESA-N
MW466.54 g/mol
LogP4.12
Rot. Bonds5

About (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (PubChem CID 158765559) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
PubChem CID158765559
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1occc1CNc1ccc2c(c1)CC=N2
InChIInChI=1S/C28H26N4O3/c1-29-27(33)25-14-23-20(12-17-4-2-3-5-22(17)23)16-32(25)28(34)26-19(9-11-35-26)15-31-21-6-7-24-18(13-21)8-10-30-24/h2-7,9-11,13,25,31H,8,12,14-16H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyIPFFPVHNVMFSQO-RUZDIDTESA-N
XLogP4.12
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3R)-2-[3-[2-(2,1,3-benzothiadiazol-5-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 159959235
(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1H-pyrazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 158254292
(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 158614097
2-[3-[(2,1,3-benzothiadiazol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 78133142
[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 162134132
(3R)-N,1-dimethyl-2-[3-[(quinoxalin-6-ylamino)methyl]furan-2-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 71656256
(3R)-N,1,1-trimethyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-4,9-dihydro-3H-indeno[2,1-c]pyridine-3-carboxamide
CID 161148408
(3R)-2-[3-[(7,7a-dihydro-3H-benzimidazol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 134315968
(3R)-N,1,1-trimethyl-2-[3-[(quinoxalin-6-ylamino)methyl]furan-2-carbonyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxamide
CID 71656257
(3R)-N-methyl-2-[2-[[4-(methylideneamino)-3-[(Z)-prop-1-enyl]anilino]methyl]furan-3-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 134315995
N-methyl-2-[5-[(quinoxalin-6-ylamino)methyl]-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 78140882
(3R)-N-methyl-2-[4-[(quinoxalin-6-ylamino)methyl]-1,3-thiazole-5-carbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
CID 71657663

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (CID 158765559) is (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1occc1CNc1ccc2c(c1)CC=N2.
What is the InChIKey of (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The InChIKey is IPFFPVHNVMFSQO-RUZDIDTESA-N. The full InChI is InChI=1S/C28H26N4O3/c1-29-27(33)25-14-23-20(12-17-4-2-3-5-22(17)23)16-32(25)28(34)26-19(9-11-35-26)15-31-21-6-7-24-18(13-21)8-10-30-24/h2-7,9-11,13,25,31H,8,12,14-16H2,1H3,(H,29,33)/t25-/m1/s1.
What are the key properties of (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
(3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[3-[(3H-indol-5-ylamino)methyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is sourced from PubChem (CID 158765559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).