(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine

C26H26ClN5O — CID 163607091

IUPAC(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine
SMILESC=C(N[C@@H](C)c1ccccc1Cl)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
InChIInChI=1S/C26H26ClN5O/c1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32/h3-7,13-17,31H,2,8-12H2,1H3/t17-/m0/s1
InChIKeyDJCANUIQGTUROE-KRWDZBQOSA-N
MW459.98 g/mol
LogP4.67
Rot. Bonds6

About (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine

(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine (PubChem CID 163607091) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine
PubChem CID163607091
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine
SMILESC=C(N[C@@H](C)c1ccccc1Cl)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
InChIInChI=1S/C26H26ClN5O/c1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32/h3-7,13-17,31H,2,8-12H2,1H3/t17-/m0/s1
InChIKeyDJCANUIQGTUROE-KRWDZBQOSA-N
XLogP4.67
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine 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

N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
CID 163793096
[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 163491751
4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
CID 163592421
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
CID 157089905
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
2-[1-(2-chlorophenyl)ethylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088219
5-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 51958351

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine (CID 163607091) is (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine is C=C(N[C@@H](C)c1ccccc1Cl)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine?
The InChIKey is DJCANUIQGTUROE-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H26ClN5O/c1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32/h3-7,13-17,31H,2,8-12H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine has a molecular weight of 459.98 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine is sourced from PubChem (CID 163607091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).