4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol

C23H23ClN6O2 — CID 54755443

IUPAC4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESOc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)nc4)nn3c2)c1
InChIInChI=1S/C23H23ClN6O2/c24-20-6-5-18(31)13-19(20)16-3-7-21-27-23(28-30(21)15-16)26-17-4-8-22(25-14-17)32-12-11-29-9-1-2-10-29/h3-8,13-15,31H,1-2,9-12H2,(H,26,28)
InChIKeyVZOUMHTVUJJZLK-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.37
Rot. Bonds7

About 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol

4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol (PubChem CID 54755443) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
PubChem CID54755443
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESOc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)nc4)nn3c2)c1
InChIInChI=1S/C23H23ClN6O2/c24-20-6-5-18(31)13-19(20)16-3-7-21-27-23(28-30(21)15-16)26-17-4-8-22(25-14-17)32-12-11-29-9-1-2-10-29/h3-8,13-15,31H,1-2,9-12H2,(H,26,28)
InChIKeyVZOUMHTVUJJZLK-UHFFFAOYSA-N
XLogP4.37
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol with MolForge

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Related Compounds

1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 54769557
2-[3-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenoxy]acetamide;4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 158873879
4-chloro-3-[6-chloro-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol
CID 11620222
1-[4-[[6-(2-chloro-5-hydroxyphenyl)quinazolin-2-yl]amino]phenyl]-3-(2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 46831215
2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
CID 56976087
5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70832632
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methylphenol
CID 141301377
5-(3-aminophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589844
5-[1-(3-chlorophenyl)sulfonylpyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70832239
N-[4-[[7-(2-chloro-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 23661629
4-chloro-3-[2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylanilino]quinazolin-6-yl]phenol
CID 54769768
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The IUPAC name of 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol (CID 54755443) is 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol.
What is the SMILES notation for 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The canonical SMILES for 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol is Oc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)nc4)nn3c2)c1.
What is the InChIKey of 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The InChIKey is VZOUMHTVUJJZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c24-20-6-5-18(31)13-19(20)16-3-7-21-27-23(28-30(21)15-16)26-17-4-8-22(25-14-17)32-12-11-29-9-1-2-10-29/h3-8,13-15,31H,1-2,9-12H2,(H,26,28).
What are the key properties of 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol has a molecular weight of 450.93 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol is sourced from PubChem (CID 54755443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).