(3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol

C17H18ClN5O — CID 162644101

IUPAC(3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol
SMILESO[C@@H]1CCNC[C@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H18ClN5O/c18-12-8-21-17(22-14-9-19-6-5-15(14)24)23-16(12)11-7-20-13-4-2-1-3-10(11)13/h1-4,7-8,14-15,19-20,24H,5-6,9H2,(H,21,22,23)/t14-,15-/m1/s1
InChIKeyFMEOFRARSQOEBI-HUUCEWRRSA-N
MW343.82 g/mol
LogP2.41
Rot. Bonds3

About (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol

(3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol (PubChem CID 162644101) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol
PubChem CID162644101
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol
SMILESO[C@@H]1CCNC[C@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C17H18ClN5O/c18-12-8-21-17(22-14-9-19-6-5-15(14)24)23-16(12)11-7-20-13-4-2-1-3-10(11)13/h1-4,7-8,14-15,19-20,24H,5-6,9H2,(H,21,22,23)/t14-,15-/m1/s1
InChIKeyFMEOFRARSQOEBI-HUUCEWRRSA-N
XLogP2.41
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol?
The IUPAC name of (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol (CID 162644101) is (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol is O[C@@H]1CCNC[C@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol?
The InChIKey is FMEOFRARSQOEBI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-12-8-21-17(22-14-9-19-6-5-15(14)24)23-16(12)11-7-20-13-4-2-1-3-10(11)13/h1-4,7-8,14-15,19-20,24H,5-6,9H2,(H,21,22,23)/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol?
(3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol has a molecular weight of 343.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-4-ol is sourced from PubChem (CID 162644101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).