[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C24H22FN5O2 — CID 118660151

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(n1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C24H22FN5O2/c25-19-4-2-1-3-17(19)16-13-26-23(27-14-16)30-15-24(7-8-24)18-5-6-20(28-21(18)30)22(31)29-9-11-32-12-10-29/h1-6,13-14H,7-12,15H2
InChIKeyCHUJJAIJKSEKDR-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.33
Rot. Bonds3

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118660151) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118660151
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(n1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C24H22FN5O2/c25-19-4-2-1-3-17(19)16-13-26-23(27-14-16)30-15-24(7-8-24)18-5-6-20(28-21(18)30)22(31)29-9-11-32-12-10-29/h1-6,13-14H,7-12,15H2
InChIKeyCHUJJAIJKSEKDR-UHFFFAOYSA-N
XLogP3.33
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118660151) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(n1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is CHUJJAIJKSEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-4-2-1-3-17(19)16-13-26-23(27-14-16)30-15-24(7-8-24)18-5-6-20(28-21(18)30)22(31)29-9-11-32-12-10-29/h1-6,13-14H,7-12,15H2.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 431.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118660151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).