[3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone

C24H31ClN6O2 — CID 174248201

IUPAC[3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC(c2nc(Nc3cncc(N4CCCC4O)c3)ncc2Cl)C1
InChIInChI=1S/C24H31ClN6O2/c25-20-14-27-24(28-18-11-19(13-26-12-18)31-10-4-8-21(31)32)29-22(20)17-7-3-9-30(15-17)23(33)16-5-1-2-6-16/h11-14,16-17,21,32H,1-10,15H2,(H,27,28,29)
InChIKeyUDOIHCJMBYCSBV-UHFFFAOYSA-N
MW471.01 g/mol
LogP4.08
Rot. Bonds5

About [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone

[3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone (PubChem CID 174248201) has the molecular formula C24H31ClN6O2 and a molecular weight of 471.01 g/mol. Its IUPAC name is [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
PubChem CID174248201
Molecular FormulaC24H31ClN6O2
Molecular Weight471.01 g/mol
Exact Mass470.22
IUPAC Name[3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC(c2nc(Nc3cncc(N4CCCC4O)c3)ncc2Cl)C1
InChIInChI=1S/C24H31ClN6O2/c25-20-14-27-24(28-18-11-19(13-26-12-18)31-10-4-8-21(31)32)29-22(20)17-7-3-9-30(15-17)23(33)16-5-1-2-6-16/h11-14,16-17,21,32H,1-10,15H2,(H,27,28,29)
InChIKeyUDOIHCJMBYCSBV-UHFFFAOYSA-N
XLogP4.08
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.01
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone (CID 174248201) is [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCCC(c2nc(Nc3cncc(N4CCCC4O)c3)ncc2Cl)C1.
What is the InChIKey of [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is UDOIHCJMBYCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2/c25-20-14-27-24(28-18-11-19(13-26-12-18)31-10-4-8-21(31)32)29-22(20)17-7-3-9-30(15-17)23(33)16-5-1-2-6-16/h11-14,16-17,21,32H,1-10,15H2,(H,27,28,29).
What are the key properties of [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone?
[3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 471.01 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-chloro-2-[[5-(2-hydroxypyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 174248201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).