14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C22H21N7O2 — CID 53242170

IUPAC14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccncc5)c4)nc3n21
InChIInChI=1S/C22H21N7O2/c1-14-4-9-24-22(31)19-10-16-2-3-18(27-20(16)29(14)19)21(30)26-17-11-25-28(13-17)12-15-5-7-23-8-6-15/h2-3,5-8,10-11,13-14H,4,9,12H2,1H3,(H,24,31)(H,26,30)
InChIKeyBYNSQSZIQPYTMV-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.62
Rot. Bonds4

About 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242170) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242170
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccncc5)c4)nc3n21
InChIInChI=1S/C22H21N7O2/c1-14-4-9-24-22(31)19-10-16-2-3-18(27-20(16)29(14)19)21(30)26-17-11-25-28(13-17)12-15-5-7-23-8-6-15/h2-3,5-8,10-11,13-14H,4,9,12H2,1H3,(H,24,31)(H,26,30)
InChIKeyBYNSQSZIQPYTMV-UHFFFAOYSA-N
XLogP2.62
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242170) is 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccncc5)c4)nc3n21.
What is the InChIKey of 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is BYNSQSZIQPYTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14-4-9-24-22(31)19-10-16-2-3-18(27-20(16)29(14)19)21(30)26-17-11-25-28(13-17)12-15-5-7-23-8-6-15/h2-3,5-8,10-11,13-14H,4,9,12H2,1H3,(H,24,31)(H,26,30).
What are the key properties of 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-10-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).