[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol

C25H31N3O3 — CID 129036051

IUPAC[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol
SMILESCOCCCc1cc(Nc2ncc(C3CC3)cc2C(O)O)cc2ccn(CC3CC3)c12
InChIInChI=1S/C25H31N3O3/c1-31-10-2-3-18-11-21(12-19-8-9-28(23(18)19)15-16-4-5-16)27-24-22(25(29)30)13-20(14-26-24)17-6-7-17/h8-9,11-14,16-17,25,29-30H,2-7,10,15H2,1H3,(H,26,27)
InChIKeyBRZXCMQRACWPQX-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.63
Rot. Bonds10

About [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol

[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol (PubChem CID 129036051) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol.

Molecular Properties

Compound Name[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol
PubChem CID129036051
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol
SMILESCOCCCc1cc(Nc2ncc(C3CC3)cc2C(O)O)cc2ccn(CC3CC3)c12
InChIInChI=1S/C25H31N3O3/c1-31-10-2-3-18-11-21(12-19-8-9-28(23(18)19)15-16-4-5-16)27-24-22(25(29)30)13-20(14-26-24)17-6-7-17/h8-9,11-14,16-17,25,29-30H,2-7,10,15H2,1H3,(H,26,27)
InChIKeyBRZXCMQRACWPQX-UHFFFAOYSA-N
XLogP4.63
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol with MolForge

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Launch Full Analysis

Related Compounds

[5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]-3-pyridinyl]methanediol
CID 138500990
methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
CID 90152741
5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153059
5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)amino]-7-phenylindole-1-carboxylic acid
CID 151546602
methyl 2-[[1-(cyclohexylmethyl)indol-4-yl]amino]-5-cyclopropylpyridine-3-carboxylate
CID 163462967
[5-cyclopropyl-2-(1H-indol-5-ylamino)-3-pyridinyl]-prop-2-enoxymethanol
CID 129036074
[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol
CID 138501149
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90153017
2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
tert-butyl 2-[[1-(cyclopentylmethyl)indol-4-yl]amino]-5-cyclopropylpyridine-3-carboxylate
CID 90153032
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol?
The IUPAC name of [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol (CID 129036051) is [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol.
What is the SMILES notation for [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol?
The canonical SMILES for [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol is COCCCc1cc(Nc2ncc(C3CC3)cc2C(O)O)cc2ccn(CC3CC3)c12.
What is the InChIKey of [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol?
The InChIKey is BRZXCMQRACWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-31-10-2-3-18-11-21(12-19-8-9-28(23(18)19)15-16-4-5-16)27-24-22(25(29)30)13-20(14-26-24)17-6-7-17/h8-9,11-14,16-17,25,29-30H,2-7,10,15H2,1H3,(H,26,27).
What are the key properties of [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol?
[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol has a molecular weight of 421.54 g/mol, XLogP of 4.63, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol is sourced from PubChem (CID 129036051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).