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

CID 57990869
CID 57990869
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CID 9800117
CID 9800117
CID 24877326
CID 24877326
CID 25074313
CID 25074313
CID 57991377
CID 57991377
CID 24746218
CID 24746218
CID 45272888
CID 45272888
CID 45273827
CID 45273827
CID 46884549
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).