4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C26H27FN6O2 — CID 162624259

IUPAC4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C26H27FN6O2/c27-21-3-1-2-19(14-21)17-33-8-6-20-15-22(4-5-24(20)33)31-25-23(16-28-18-30-25)26(34)29-7-9-32-10-12-35-13-11-32/h1-6,8,14-16,18H,7,9-13,17H2,(H,29,34)(H,28,30,31)
InChIKeyFULRXYKXPUGDJR-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.42
Rot. Bonds8

About 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 162624259) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID162624259
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C26H27FN6O2/c27-21-3-1-2-19(14-21)17-33-8-6-20-15-22(4-5-24(20)33)31-25-23(16-28-18-30-25)26(34)29-7-9-32-10-12-35-13-11-32/h1-6,8,14-16,18H,7,9-13,17H2,(H,29,34)(H,28,30,31)
InChIKeyFULRXYKXPUGDJR-UHFFFAOYSA-N
XLogP3.42
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 162624259) is 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is FULRXYKXPUGDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c27-21-3-1-2-19(14-21)17-33-8-6-20-15-22(4-5-24(20)33)31-25-23(16-28-18-30-25)26(34)29-7-9-32-10-12-35-13-11-32/h1-6,8,14-16,18H,7,9-13,17H2,(H,29,34)(H,28,30,31).
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 162624259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).