(1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol

C20H23N3O2 — CID 75536115

IUPAC(1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-23-12-14(15-6-2-3-7-17(15)23)11-22-19-16(9-18(24)20(19)25)13-5-4-8-21-10-13/h2-8,10,12,16,18-20,22,24-25H,9,11H2,1H3/t16-,18-,19-,20-/m1/s1
InChIKeyMVWSVZGMVQFQNG-VBSBHUPXSA-N
MW337.42 g/mol
LogP1.94
Rot. Bonds4

About (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol

(1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol (PubChem CID 75536115) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
PubChem CID75536115
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-23-12-14(15-6-2-3-7-17(15)23)11-22-19-16(9-18(24)20(19)25)13-5-4-8-21-10-13/h2-8,10,12,16,18-20,22,24-25H,9,11H2,1H3/t16-,18-,19-,20-/m1/s1
InChIKeyMVWSVZGMVQFQNG-VBSBHUPXSA-N
XLogP1.94
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol (CID 75536115) is (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol is Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c2ccccc21.
What is the InChIKey of (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
The InChIKey is MVWSVZGMVQFQNG-VBSBHUPXSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-12-14(15-6-2-3-7-17(15)23)11-22-19-16(9-18(24)20(19)25)13-5-4-8-21-10-13/h2-8,10,12,16,18-20,22,24-25H,9,11H2,1H3/t16-,18-,19-,20-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol has a molecular weight of 337.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-[(1-methylindol-3-yl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol is sourced from PubChem (CID 75536115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).