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

C26H30ClN5O2 — CID 42641786

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCCC3)C2)nc1
InChIInChI=1S/C26H30ClN5O2/c27-19-6-7-22(28-15-19)18-34-24-11-13-32(26(33)14-24)23-8-9-25(29-16-23)31-12-10-21(17-31)30-20-4-2-1-3-5-20/h6-9,11,13-16,20-21,30H,1-5,10,12,17-18H2
InChIKeyCYSNJZNEOHSWEM-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.36
Rot. Bonds7

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

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (PubChem CID 42641786) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
PubChem CID42641786
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCCC3)C2)nc1
InChIInChI=1S/C26H30ClN5O2/c27-19-6-7-22(28-15-19)18-34-24-11-13-32(26(33)14-24)23-8-9-25(29-16-23)31-12-10-21(17-31)30-20-4-2-1-3-5-20/h6-9,11,13-16,20-21,30H,1-5,10,12,17-18H2
InChIKeyCYSNJZNEOHSWEM-UHFFFAOYSA-N
XLogP4.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)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

Related Compounds

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641787
1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 66823430
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]pyridin-2-one
CID 66794301
1-[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968671
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 67159431
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
CID 66831802
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 66831685
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968323
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
CID 69079262

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one (CID 42641786) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc(N2CCC(NC3CCCCC3)C2)nc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
The InChIKey is CYSNJZNEOHSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c27-19-6-7-22(28-15-19)18-34-24-11-13-32(26(33)14-24)23-8-9-25(29-16-23)31-12-10-21(17-31)30-20-4-2-1-3-5-20/h6-9,11,13-16,20-21,30H,1-5,10,12,17-18H2.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one has a molecular weight of 480.01 g/mol, XLogP of 4.36, 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-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 42641786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).