4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide

C23H23N7O3 — CID 67959677

IUPAC4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide
SMILESCOc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)NCC4CC4)cnn3C)ccn2n1
InChIInChI=1S/C23H23N7O3/c1-29-20(17(13-25-29)22(31)24-12-14-7-8-14)23(32)26-15-9-10-30-19(11-15)27-21(28-30)16-5-3-4-6-18(16)33-2/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,24,31)(H,26,32)
InChIKeyLRPRXKQLSJOSAC-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.53
Rot. Bonds7

About 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide

4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide (PubChem CID 67959677) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide
PubChem CID67959677
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide
SMILESCOc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)NCC4CC4)cnn3C)ccn2n1
InChIInChI=1S/C23H23N7O3/c1-29-20(17(13-25-29)22(31)24-12-14-7-8-14)23(32)26-15-9-10-30-19(11-15)27-21(28-30)16-5-3-4-6-18(16)33-2/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,24,31)(H,26,32)
InChIKeyLRPRXKQLSJOSAC-UHFFFAOYSA-N
XLogP2.53
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide (CID 67959677) is 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide is COc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)NCC4CC4)cnn3C)ccn2n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide?
The InChIKey is LRPRXKQLSJOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-29-20(17(13-25-29)22(31)24-12-14-7-8-14)23(32)26-15-9-10-30-19(11-15)27-21(28-30)16-5-3-4-6-18(16)33-2/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,24,31)(H,26,32).
What are the key properties of 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide?
4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide has a molecular weight of 445.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67959677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).