4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C27H29FN6O2 — CID 70806461

IUPAC4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cnn2c(NCc3ccc(C(=O)NCCN4CCOCC4)cc3)cc(-c3ccccc3F)nc12
InChIInChI=1S/C27H29FN6O2/c1-19-17-31-34-25(16-24(32-26(19)34)22-4-2-3-5-23(22)28)30-18-20-6-8-21(9-7-20)27(35)29-10-11-33-12-14-36-15-13-33/h2-9,16-17,30H,10-15,18H2,1H3,(H,29,35)
InChIKeyKPDWGHVLNQILFU-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.52
Rot. Bonds8

About 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 70806461) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID70806461
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cnn2c(NCc3ccc(C(=O)NCCN4CCOCC4)cc3)cc(-c3ccccc3F)nc12
InChIInChI=1S/C27H29FN6O2/c1-19-17-31-34-25(16-24(32-26(19)34)22-4-2-3-5-23(22)28)30-18-20-6-8-21(9-7-20)27(35)29-10-11-33-12-14-36-15-13-33/h2-9,16-17,30H,10-15,18H2,1H3,(H,29,35)
InChIKeyKPDWGHVLNQILFU-UHFFFAOYSA-N
XLogP3.52
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide 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-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 70806461) is 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1cnn2c(NCc3ccc(C(=O)NCCN4CCOCC4)cc3)cc(-c3ccccc3F)nc12.
What is the InChIKey of 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KPDWGHVLNQILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-19-17-31-34-25(16-24(32-26(19)34)22-4-2-3-5-23(22)28)30-18-20-6-8-21(9-7-20)27(35)29-10-11-33-12-14-36-15-13-33/h2-9,16-17,30H,10-15,18H2,1H3,(H,29,35).
What are the key properties of 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 488.57 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 70806461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).