cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide

C21H25N5O2 — CID 92612806

IUPACcis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1
InChIInChI=1S/C21H25N5O2/c1-13-14(2)25-26-12-19(24-21(26)22-13)15-7-9-17(10-8-15)23-20(27)16-5-4-6-18(11-16)28-3/h7-10,12,16,18H,4-6,11H2,1-3H3,(H,23,27)/t16-,18+/m1/s1
InChIKeyXGTGZRXYKJLWDG-AEFFLSMTSA-N
MW379.46 g/mol
LogP3.55
Rot. Bonds4

About cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide

cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 92612806) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide
PubChem CID92612806
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Namecis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1
InChIInChI=1S/C21H25N5O2/c1-13-14(2)25-26-12-19(24-21(26)22-13)15-7-9-17(10-8-15)23-20(27)16-5-4-6-18(11-16)28-3/h7-10,12,16,18H,4-6,11H2,1-3H3,(H,23,27)/t16-,18+/m1/s1
InChIKeyXGTGZRXYKJLWDG-AEFFLSMTSA-N
XLogP3.55
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]oxolane-2-carboxamide
CID 92612815
N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
CID 46981353
N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 46981693
3-methoxy-N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]cyclohexane-1-carboxamide
CID 46966704
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentanecarboxamide
CID 121089730
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
3-amino-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119857716
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 144736513
5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
CID 91635069
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide (CID 92612806) is cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide is CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2)C1.
What is the InChIKey of cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is XGTGZRXYKJLWDG-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-14(2)25-26-12-19(24-21(26)22-13)15-7-9-17(10-8-15)23-20(27)16-5-4-6-18(11-16)28-3/h7-10,12,16,18H,4-6,11H2,1-3H3,(H,23,27)/t16-,18+/m1/s1.
What are the key properties of cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide?
cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 92612806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).