5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide

C26H24F3N5O2 — CID 163712587

IUPAC5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N5O2/c1-16(17-3-2-4-19(11-17)26(27,28)29)33-25(35)24-31-13-18(14-32-24)21-5-6-23-22(21)12-20(15-30-23)34-7-9-36-10-8-34/h2-5,11-16H,6-10H2,1H3,(H,33,35)/t16-/m1/s1
InChIKeyKKOKXTSXOHMOGS-MRXNPFEDSA-N
MW495.51 g/mol
LogP4.21
Rot. Bonds5

About 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide

5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide (PubChem CID 163712587) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide
PubChem CID163712587
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N5O2/c1-16(17-3-2-4-19(11-17)26(27,28)29)33-25(35)24-31-13-18(14-32-24)21-5-6-23-22(21)12-20(15-30-23)34-7-9-36-10-8-34/h2-5,11-16H,6-10H2,1H3,(H,33,35)/t16-/m1/s1
InChIKeyKKOKXTSXOHMOGS-MRXNPFEDSA-N
XLogP4.21
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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-(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
6-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-({2-[3-(4-methylpiperazin-1-yl)propoxy]pyrimidin-5-yl}amino)pyrazine-2-carboxamide
CID 71596999
2-(Benzhydrylamino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10503870
N-[4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]acetamide
CID 24878130
N-[4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]acetamide
CID 44336130
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
6-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45268626
6-(4-fluorophenyl)-4-(pyridin-2-ylmethyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269469
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide (CID 163712587) is 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide is C[C@@H](NC(=O)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
The InChIKey is KKOKXTSXOHMOGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-16(17-3-2-4-19(11-17)26(27,28)29)33-25(35)24-31-13-18(14-32-24)21-5-6-23-22(21)12-20(15-30-23)34-7-9-36-10-8-34/h2-5,11-16H,6-10H2,1H3,(H,33,35)/t16-/m1/s1.
What are the key properties of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 163712587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).