5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide

C25H24N6O2 — CID 42341146

IUPAC5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C25H24N6O2/c1-30(15-19-11-12-33-29-19)24(32)21-14-27-31(23(21)17-9-10-17)25-26-13-18-7-4-6-16-5-2-3-8-20(16)22(18)28-25/h2-3,5,8,11-14,17H,4,6-7,9-10,15H2,1H3
InChIKeyWYFZRPFRSWIZIT-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.96
Rot. Bonds5

About 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42341146) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42341146
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C25H24N6O2/c1-30(15-19-11-12-33-29-19)24(32)21-14-27-31(23(21)17-9-10-17)25-26-13-18-7-4-6-16-5-2-3-8-20(16)22(18)28-25/h2-3,5,8,11-14,17H,4,6-7,9-10,15H2,1H3
InChIKeyWYFZRPFRSWIZIT-UHFFFAOYSA-N
XLogP3.96
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339
5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 68643387
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267516
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267517
3-[5-[4-(3,3-Difluoropiperidin-1-yl)-5-fluoropyrimidin-2-yl]-2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
CID 90446379
3-[5-[4-(4,4-Difluoropiperidin-1-yl)-5-fluoropyrimidin-2-yl]-2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
CID 90446380
1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-one
CID 118233387
8-[4-[(dimethylamino)methyl]phenyl]-N-(1,2-oxazol-3-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 137651012
3-[3-[5-Fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 86267316
1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide
CID 86267730
N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide
CID 86267731
1-[[[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 86269168

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide (CID 42341146) is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide is CN(Cc1ccon1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is WYFZRPFRSWIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-30(15-19-11-12-33-29-19)24(32)21-14-27-31(23(21)17-9-10-17)25-26-13-18-7-4-6-16-5-2-3-8-20(16)22(18)28-25/h2-3,5,8,11-14,17H,4,6-7,9-10,15H2,1H3.
What are the key properties of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42341146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).