2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol

C23H27N5O3 — CID 19040773

IUPAC2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccnc1Nc1ccc2[nH]cc(CC3CCCN3C3CCCC3O)c2c1
InChIInChI=1S/C23H27N5O3/c29-22-7-1-5-20(22)27-11-3-4-17(27)12-15-14-25-19-9-8-16(13-18(15)19)26-23-21(28(30)31)6-2-10-24-23/h2,6,8-10,13-14,17,20,22,25,29H,1,3-5,7,11-12H2,(H,24,26)
InChIKeyGBZMIEDXOMEWAK-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.14
Rot. Bonds6

About 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol

2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol (PubChem CID 19040773) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol
PubChem CID19040773
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccnc1Nc1ccc2[nH]cc(CC3CCCN3C3CCCC3O)c2c1
InChIInChI=1S/C23H27N5O3/c29-22-7-1-5-20(22)27-11-3-4-17(27)12-15-14-25-19-9-8-16(13-18(15)19)26-23-21(28(30)31)6-2-10-24-23/h2,6,8-10,13-14,17,20,22,25,29H,1,3-5,7,11-12H2,(H,24,26)
InChIKeyGBZMIEDXOMEWAK-UHFFFAOYSA-N
XLogP4.14
TPSA107.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol with MolForge

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Related Compounds

N-(3-nitro-2-pyridinyl)-3-[(1-pentylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 19040749
3-[(2R)-2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]propanenitrile
CID 54486904
3-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-nitrophenyl)-1H-indol-5-amine
CID 54387087
N-(4-methyl-3-nitro-2-pyridinyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 161394962
N-(4-chloro-2-nitrophenyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 70207456
3-[[5-[(6-methoxy-3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]-1-methylpyrrolidin-2-one
CID 54122287
3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-N-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indol-5-amine
CID 54472892
N-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]-3-nitropyridin-2-amine
CID 18967507
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
1-benzyl-4-(4-nitrophenoxy)piperidine;1-benzylpiperidin-4-ol;N-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-3-nitropyridin-2-amine;1-fluoro-4-nitrobenzene
CID 161105155
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol (CID 19040773) is 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol is O=[N+]([O-])c1cccnc1Nc1ccc2[nH]cc(CC3CCCN3C3CCCC3O)c2c1.
What is the InChIKey of 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol?
The InChIKey is GBZMIEDXOMEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c29-22-7-1-5-20(22)27-11-3-4-17(27)12-15-14-25-19-9-8-16(13-18(15)19)26-23-21(28(30)31)6-2-10-24-23/h2,6,8-10,13-14,17,20,22,25,29H,1,3-5,7,11-12H2,(H,24,26).
What are the key properties of 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol?
2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol has a molecular weight of 421.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-[(3-nitro-2-pyridinyl)amino]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 19040773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).