1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide

C21H24N8O4 — CID 165414918

IUPAC1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CO3)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C21H24N8O4/c1-26-18(16(10-22-26)20(31)28-11-15-9-14(28)12-33-15)19(30)23-13-2-3-29-17(8-13)24-21(25-29)27-4-6-32-7-5-27/h2-3,8,10,14-15H,4-7,9,11-12H2,1H3,(H,23,30)/t14-,15-/m0/s1
InChIKeyVYYJBEZBWPJHOI-GJZGRUSLSA-N
MW452.48 g/mol
LogP0.17
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide

1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide (PubChem CID 165414918) has the molecular formula C21H24N8O4 and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide
PubChem CID165414918
Molecular FormulaC21H24N8O4
Molecular Weight452.48 g/mol
Exact Mass452.19
IUPAC Name1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CO3)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C21H24N8O4/c1-26-18(16(10-22-26)20(31)28-11-15-9-14(28)12-33-15)19(30)23-13-2-3-29-17(8-13)24-21(25-29)27-4-6-32-7-5-27/h2-3,8,10,14-15H,4-7,9,11-12H2,1H3,(H,23,30)/t14-,15-/m0/s1
InChIKeyVYYJBEZBWPJHOI-GJZGRUSLSA-N
XLogP0.17
TPSA119.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide (CID 165414918) is 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CO3)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide?
The InChIKey is VYYJBEZBWPJHOI-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H24N8O4/c1-26-18(16(10-22-26)20(31)28-11-15-9-14(28)12-33-15)19(30)23-13-2-3-29-17(8-13)24-21(25-29)27-4-6-32-7-5-27/h2-3,8,10,14-15H,4-7,9,11-12H2,1H3,(H,23,30)/t14-,15-/m0/s1.
What are the key properties of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide?
1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]pyrazole-5-carboxamide is sourced from PubChem (CID 165414918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).