[4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid

C32H37FN6O3 — CID 155023753

IUPAC[4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CCN2CC3(C2)CN(c2ncncc2Oc2ccc(F)cc2-c2cccnc2C2CC2)C3)CC1
InChIInChI=1S/C32H37FN6O3/c33-23-7-10-27(26(14-23)25-2-1-12-35-29(25)22-5-6-22)42-28-15-34-20-36-30(28)39-18-32(19-39)16-38(17-32)13-11-21-3-8-24(9-4-21)37-31(40)41/h1-2,7,10,12,14-15,20-22,24,37H,3-6,8-9,11,13,16-19H2,(H,40,41)
InChIKeyNZXIFPSZSGDUOE-UHFFFAOYSA-N
MW572.69 g/mol
LogP5.69
Rot. Bonds9

About [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid

[4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid (PubChem CID 155023753) has the molecular formula C32H37FN6O3 and a molecular weight of 572.69 g/mol. Its IUPAC name is [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid
PubChem CID155023753
Molecular FormulaC32H37FN6O3
Molecular Weight572.69 g/mol
Exact Mass572.29
IUPAC Name[4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CCN2CC3(C2)CN(c2ncncc2Oc2ccc(F)cc2-c2cccnc2C2CC2)C3)CC1
InChIInChI=1S/C32H37FN6O3/c33-23-7-10-27(26(14-23)25-2-1-12-35-29(25)22-5-6-22)42-28-15-34-20-36-30(28)39-18-32(19-39)16-38(17-32)13-11-21-3-8-24(9-4-21)37-31(40)41/h1-2,7,10,12,14-15,20-22,24,37H,3-6,8-9,11,13,16-19H2,(H,40,41)
InChIKeyNZXIFPSZSGDUOE-UHFFFAOYSA-N
XLogP5.69
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.69
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid (CID 155023753) is [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid is O=C(O)NC1CCC(CCN2CC3(C2)CN(c2ncncc2Oc2ccc(F)cc2-c2cccnc2C2CC2)C3)CC1.
What is the InChIKey of [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid?
The InChIKey is NZXIFPSZSGDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O3/c33-23-7-10-27(26(14-23)25-2-1-12-35-29(25)22-5-6-22)42-28-15-34-20-36-30(28)39-18-32(19-39)16-38(17-32)13-11-21-3-8-24(9-4-21)37-31(40)41/h1-2,7,10,12,14-15,20-22,24,37H,3-6,8-9,11,13,16-19H2,(H,40,41).
What are the key properties of [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid?
[4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid has a molecular weight of 572.69 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[5-[2-(2-cyclopropyl-3-pyridinyl)-4-fluorophenoxy]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 155023753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).