N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine

C21H19N7O — CID 167146850

IUPACN-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
SMILESCOc1cc(Nc2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)ccn1
InChIInChI=1S/C21H19N7O/c1-29-20-12-16(8-10-23-20)24-19-7-6-18-21(25-19)28(27-26-18)13-14-4-5-17-15(11-14)3-2-9-22-17/h2-12,26-27H,13H2,1H3,(H,23,24,25)
InChIKeyUGUKOEISVSAECA-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.63
Rot. Bonds5

About N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine

N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine (PubChem CID 167146850) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
PubChem CID167146850
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
SMILESCOc1cc(Nc2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)ccn1
InChIInChI=1S/C21H19N7O/c1-29-20-12-16(8-10-23-20)24-19-7-6-18-21(25-19)28(27-26-18)13-14-4-5-17-15(11-14)3-2-9-22-17/h2-12,26-27H,13H2,1H3,(H,23,24,25)
InChIKeyUGUKOEISVSAECA-UHFFFAOYSA-N
XLogP3.63
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol
CID 139321387
6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
CID 118214051
N-(6-ethynyl-2-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214061
2-chloro-N-propoxy-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123460431
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268
2-chloro-N-(2-hydroxypropoxy)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123181910
N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
CID 118214070
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 139321401
methyl 2-[methyl-[4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]phenyl]phosphoryl]oxyacetate
CID 175621530
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine (CID 167146850) is N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine is COc1cc(Nc2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine?
The InChIKey is UGUKOEISVSAECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-29-20-12-16(8-10-23-20)24-19-7-6-18-21(25-19)28(27-26-18)13-14-4-5-17-15(11-14)3-2-9-22-17/h2-12,26-27H,13H2,1H3,(H,23,24,25).
What are the key properties of N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine?
N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine has a molecular weight of 385.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 167146850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).