cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid

C23H27N5O4 — CID 90106916

IUPACcyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
SMILESC1CC1.COC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)O)nn34)cc2)CC1
InChIInChI=1S/C20H21N5O4.C3H6/c1-29-15-9-11-24(12-10-15)18(26)14-7-5-13(6-8-14)16-3-2-4-17-21-19(22-20(27)28)23-25(16)17;1-2-3-1/h2-8,15H,9-12H2,1H3,(H,22,23)(H,27,28);1-3H2
InChIKeySBGHAFMAOUGGNQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.91
Rot. Bonds4

About cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid

cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid (PubChem CID 90106916) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Namecyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
PubChem CID90106916
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Namecyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
SMILESC1CC1.COC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)O)nn34)cc2)CC1
InChIInChI=1S/C20H21N5O4.C3H6/c1-29-15-9-11-24(12-10-15)18(26)14-7-5-13(6-8-14)16-3-2-4-17-21-19(22-20(27)28)23-25(16)17;1-2-3-1/h2-8,15H,9-12H2,1H3,(H,22,23)(H,27,28);1-3H2
InChIKeySBGHAFMAOUGGNQ-UHFFFAOYSA-N
XLogP3.91
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106434
[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane
CID 90107248
N-[5-[4-(4-methylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44625289
1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide
CID 67328746
N-[5-[4-(4-cyanopiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374722
N-[5-[4-[1-[4-(azepane-1-carbonyl)phenyl]-2-(azepan-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90106698
N-[5-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374623
N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 118122935
cyclopropane;[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90107650
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 90107715

Frequently Asked Questions

What is the IUPAC name of cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?
The IUPAC name of cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid (CID 90106916) is cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid.
What is the SMILES notation for cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?
The canonical SMILES for cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid is C1CC1.COC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)O)nn34)cc2)CC1.
What is the InChIKey of cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?
The InChIKey is SBGHAFMAOUGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4.C3H6/c1-29-15-9-11-24(12-10-15)18(26)14-7-5-13(6-8-14)16-3-2-4-17-21-19(22-20(27)28)23-25(16)17;1-2-3-1/h2-8,15H,9-12H2,1H3,(H,22,23)(H,27,28);1-3H2.
What are the key properties of cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?
cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid has a molecular weight of 437.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 90106916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).