4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C21H22N8O2 — CID 90383498

IUPAC4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCCC4)nc3c2)c1
InChIInChI=1S/C21H22N8O2/c1-27-19(16(13-23-27)17-12-15(31-2)5-7-22-17)20(30)24-14-6-10-29-18(11-14)25-21(26-29)28-8-3-4-9-28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,24,30)
InChIKeyUYEWAYPBRWQEDC-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.39
Rot. Bonds5

About 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383498) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383498
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCCC4)nc3c2)c1
InChIInChI=1S/C21H22N8O2/c1-27-19(16(13-23-27)17-12-15(31-2)5-7-22-17)20(30)24-14-6-10-29-18(11-14)25-21(26-29)28-8-3-4-9-28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,24,30)
InChIKeyUYEWAYPBRWQEDC-UHFFFAOYSA-N
XLogP2.39
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383498) is 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is COc1ccnc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CCCC4)nc3c2)c1.
What is the InChIKey of 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is UYEWAYPBRWQEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-27-19(16(13-23-27)17-12-15(31-2)5-7-22-17)20(30)24-14-6-10-29-18(11-14)25-21(26-29)28-8-3-4-9-28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,24,30).
What are the key properties of 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).