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

C26H25N5O2 — CID 42421285

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C
InChIInChI=1S/C26H25N5O2/c1-17-22(25(32)27-14-19-9-4-6-13-23(19)33-2)16-29-31(17)26-28-15-20-11-7-10-18-8-3-5-12-21(18)24(20)30-26/h3-6,8-9,12-13,15-16H,7,10-11,14H2,1-2H3,(H,27,32)
InChIKeyGKFHUCMXNKPWQA-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.07
Rot. Bonds5

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

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 42421285) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID42421285
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C
InChIInChI=1S/C26H25N5O2/c1-17-22(25(32)27-14-19-9-4-6-13-23(19)33-2)16-29-31(17)26-28-15-20-11-7-10-18-8-3-5-12-21(18)24(20)30-26/h3-6,8-9,12-13,15-16H,7,10-11,14H2,1-2H3,(H,27,32)
InChIKeyGKFHUCMXNKPWQA-UHFFFAOYSA-N
XLogP4.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42440166
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42323991
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 118758369
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]-N,5-dimethylpyrazole-4-carboxamide
CID 26353012
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1,4-dioxan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide
CID 45243476
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42378655
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 42340788
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 42405339
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118758281
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 45242343

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide (CID 42421285) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C.
What is the InChIKey of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is GKFHUCMXNKPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-22(25(32)27-14-19-9-4-6-13-23(19)33-2)16-29-31(17)26-28-15-20-11-7-10-18-8-3-5-12-21(18)24(20)30-26/h3-6,8-9,12-13,15-16H,7,10-11,14H2,1-2H3,(H,27,32).
What are the key properties of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 42421285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).