N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide

C25H24FN5O2 — CID 163850189

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
InChIInChI=1S/C25H24FN5O2/c26-19-3-1-17(2-4-19)7-8-27-25(32)24-29-14-18(15-30-24)21-5-6-23-22(21)13-20(16-28-23)31-9-11-33-12-10-31/h1-5,13-16H,6-12H2,(H,27,32)
InChIKeyOTSBYRHANDISHK-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide (PubChem CID 163850189) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
PubChem CID163850189
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
InChIInChI=1S/C25H24FN5O2/c26-19-3-1-17(2-4-19)7-8-27-25(32)24-29-14-18(15-30-24)21-5-6-23-22(21)13-20(16-28-23)31-9-11-33-12-10-31/h1-5,13-16H,6-12H2,(H,27,32)
InChIKeyOTSBYRHANDISHK-UHFFFAOYSA-N
XLogP2.81
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

XL019
CID 57990869
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
Gsk-3494245
CID 126571915
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
(2r)-N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]pyrrolidine-2-Carboxamide
CID 57991377
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272888
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884549

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide (CID 163850189) is N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
The InChIKey is OTSBYRHANDISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-19-3-1-17(2-4-19)7-8-27-25(32)24-29-14-18(15-30-24)21-5-6-23-22(21)13-20(16-28-23)31-9-11-33-12-10-31/h1-5,13-16H,6-12H2,(H,27,32).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 163850189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).