[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone

C27H26FN5O3 — CID 118662709

IUPAC[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1nn(-c2ncc(-c3cc(C4CC4)ccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C27H26FN5O3/c1-16(34)25-21-6-4-19(26(35)32-8-10-36-11-9-32)13-24(21)33(31-25)27-29-14-20(15-30-27)22-12-18(17-2-3-17)5-7-23(22)28/h4-7,12-17,34H,2-3,8-11H2,1H3
InChIKeyCAHPMRFIXIYJOX-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.02
Rot. Bonds5

About [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone

[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662709) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662709
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1nn(-c2ncc(-c3cc(C4CC4)ccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C27H26FN5O3/c1-16(34)25-21-6-4-19(26(35)32-8-10-36-11-9-32)13-24(21)33(31-25)27-29-14-20(15-30-27)22-12-18(17-2-3-17)5-7-23(22)28/h4-7,12-17,34H,2-3,8-11H2,1H3
InChIKeyCAHPMRFIXIYJOX-UHFFFAOYSA-N
XLogP4.02
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
CID 118662812
[1-[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 144998554
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 118666113
[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
CID 129282314
[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666196
1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
CID 137367695
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367070
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 118671727
[3-methylsulfanyl-1-(5-phenylpyrimidin-2-yl)indazol-6-yl]-piperazin-1-ylmethanone
CID 118662756
[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
CID 137367126
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 118666022
[1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118660008

Frequently Asked Questions

What is the IUPAC name of [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone (CID 118662709) is [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone is CC(O)c1nn(-c2ncc(-c3cc(C4CC4)ccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is CAHPMRFIXIYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-16(34)25-21-6-4-19(26(35)32-8-10-36-11-9-32)13-24(21)33(31-25)27-29-14-20(15-30-27)22-12-18(17-2-3-17)5-7-23(22)28/h4-7,12-17,34H,2-3,8-11H2,1H3.
What are the key properties of [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 487.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).