N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide

C24H22F2N4O2 — CID 25099693

IUPACN-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(CC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C24H22F2N4O2/c1-14-20(12-27-22(28-14)15-5-4-6-17(25)9-15)23(31)29-30-13-16(11-24(2,3)32)19-10-18(26)7-8-21(19)30/h4-10,12-13,32H,11H2,1-3H3,(H,29,31)
InChIKeyXJCOGNLXDZYQMM-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.38
Rot. Bonds5

About N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide

N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 25099693) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID25099693
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC NameN-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(CC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C24H22F2N4O2/c1-14-20(12-27-22(28-14)15-5-4-6-17(25)9-15)23(31)29-30-13-16(11-24(2,3)32)19-10-18(26)7-8-21(19)30/h4-10,12-13,32H,11H2,1-3H3,(H,29,31)
InChIKeyXJCOGNLXDZYQMM-UHFFFAOYSA-N
XLogP4.38
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonic acid
CID 86639366
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59200027
N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099473
N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099553
N-[3-ethyl-5-(trifluoromethyl)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59199982
4-methyl-2-pyrimidin-2-yl-N-[3-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91458147
N-[3-ethyl-5-(trifluoromethoxy)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59200000
2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride
CID 154247842
N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59199955
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-ethyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]carbamate
CID 71134161
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidine-5-carboxamide
CID 91514664
tert-butyl 4-[5-fluoro-1-[(4-methyl-2-pyridin-2-ylpyrimidine-5-carbonyl)amino]indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68555150

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide (CID 25099693) is N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(CC(C)(C)O)c2cc(F)ccc21.
What is the InChIKey of N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is XJCOGNLXDZYQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-14-20(12-27-22(28-14)15-5-4-6-17(25)9-15)23(31)29-30-13-16(11-24(2,3)32)19-10-18(26)7-8-21(19)30/h4-10,12-13,32H,11H2,1-3H3,(H,29,31).
What are the key properties of N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 25099693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).