(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol

C24H27ClFN5O2 — CID 143313142

IUPAC(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C24H27ClFN5O2/c1-33-15-19(32)12-28-18-7-10-31(11-8-18)22-14-29-23(16-2-4-17(26)5-3-16)24(30-22)20-6-9-27-13-21(20)25/h2-6,9,13-14,18-19,28,32H,7-8,10-12,15H2,1H3/t19-/m1/s1
InChIKeyXBRARLRLBUVQML-LJQANCHMSA-N
MW471.96 g/mol
LogP3.56
Rot. Bonds8

About (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol

(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol (PubChem CID 143313142) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
PubChem CID143313142
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC Name(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C24H27ClFN5O2/c1-33-15-19(32)12-28-18-7-10-31(11-8-18)22-14-29-23(16-2-4-17(26)5-3-16)24(30-22)20-6-9-27-13-21(20)25/h2-6,9,13-14,18-19,28,32H,7-8,10-12,15H2,1H3/t19-/m1/s1
InChIKeyXBRARLRLBUVQML-LJQANCHMSA-N
XLogP3.56
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol (CID 143313142) is (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol is COC[C@H](O)CNC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol?
The InChIKey is XBRARLRLBUVQML-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27ClFN5O2/c1-33-15-19(32)12-28-18-7-10-31(11-8-18)22-14-29-23(16-2-4-17(26)5-3-16)24(30-22)20-6-9-27-13-21(20)25/h2-6,9,13-14,18-19,28,32H,7-8,10-12,15H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol?
(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol has a molecular weight of 471.96 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 143313142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).