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

C27H26FN5O3 — CID 118662711

IUPAC[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C27H26FN5O3/c1-16(34)18-5-7-23(28)22(12-18)20-14-29-27(30-15-20)33-24-13-19(26(35)32-8-10-36-11-9-32)4-6-21(24)25(31-33)17-2-3-17/h4-7,12-17,34H,2-3,8-11H2,1H3
InChIKeyGOXWCWKIRIKVGI-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.02
Rot. Bonds5

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

[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662711) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662711
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C27H26FN5O3/c1-16(34)18-5-7-23(28)22(12-18)20-14-29-27(30-15-20)33-24-13-19(26(35)32-8-10-36-11-9-32)4-6-21(24)25(31-33)17-2-3-17/h4-7,12-17,34H,2-3,8-11H2,1H3
InChIKeyGOXWCWKIRIKVGI-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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Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone (CID 118662711) is [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone is CC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is GOXWCWKIRIKVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-16(34)18-5-7-23(28)22(12-18)20-14-29-27(30-15-20)33-24-13-19(26(35)32-8-10-36-11-9-32)4-6-21(24)25(31-33)17-2-3-17/h4-7,12-17,34H,2-3,8-11H2,1H3.
What are the key properties of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]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 [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).