4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one

C25H28ClN5O2 — CID 42641787

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCC3)C2)nc1
InChIInChI=1S/C25H28ClN5O2/c26-18-5-6-21(27-14-18)17-33-23-10-12-31(25(32)13-23)22-7-8-24(28-15-22)30-11-9-20(16-30)29-19-3-1-2-4-19/h5-8,10,12-15,19-20,29H,1-4,9,11,16-17H2
InChIKeyJARRAMKELSGQST-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.97
Rot. Bonds7

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (PubChem CID 42641787) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
PubChem CID42641787
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCC3)C2)nc1
InChIInChI=1S/C25H28ClN5O2/c26-18-5-6-21(27-14-18)17-33-23-10-12-31(25(32)13-23)22-7-8-24(28-15-22)30-11-9-20(16-30)29-19-3-1-2-4-19/h5-8,10,12-15,19-20,29H,1-4,9,11,16-17H2
InChIKeyJARRAMKELSGQST-UHFFFAOYSA-N
XLogP3.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (CID 42641787) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCC3)C2)nc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The InChIKey is JARRAMKELSGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c26-18-5-6-21(27-14-18)17-33-23-10-12-31(25(32)13-23)22-7-8-24(28-15-22)30-11-9-20(16-30)29-19-3-1-2-4-19/h5-8,10,12-15,19-20,29H,1-4,9,11,16-17H2.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one has a molecular weight of 465.99 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 42641787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).