(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol

C19H26N4O — CID 97232177

IUPAC(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol
SMILESCC(C)n1cc([C@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C19H26N4O/c1-13(2)23-11-16(10-21-23)14(3)22-17(12-24)8-15-9-20-19-7-5-4-6-18(15)19/h4-7,9-11,13-14,17,20,22,24H,8,12H2,1-3H3/t14-,17+/m0/s1
InChIKeyGHUPYZBHGUENKF-WMLDXEAASA-N
MW326.44 g/mol
LogP3.20
Rot. Bonds7

About (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol

(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol (PubChem CID 97232177) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol
PubChem CID97232177
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol
SMILESCC(C)n1cc([C@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C19H26N4O/c1-13(2)23-11-16(10-21-23)14(3)22-17(12-24)8-15-9-20-19-7-5-4-6-18(15)19/h4-7,9-11,13-14,17,20,22,24H,8,12H2,1-3H3/t14-,17+/m0/s1
InChIKeyGHUPYZBHGUENKF-WMLDXEAASA-N
XLogP3.20
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol with MolForge

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Related Compounds

(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol
CID 97322520
(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
CID 97232173
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 119957335
3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
CID 84584832
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 81319723
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
CID 145241325
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
2-[(4-tert-butylphenyl)sulfanylamino]-3-(1H-indol-3-yl)propan-1-ol
CID 142868442

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol (CID 97232177) is (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol is CC(C)n1cc([C@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)cn1.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol?
The InChIKey is GHUPYZBHGUENKF-WMLDXEAASA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)23-11-16(10-21-23)14(3)22-17(12-24)8-15-9-20-19-7-5-4-6-18(15)19/h4-7,9-11,13-14,17,20,22,24H,8,12H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol?
(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 97232177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).