5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C26H30N10OS — CID 70832643

IUPAC5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1cnnc1SCCn1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C26H30N10OS/c1-33-19-27-31-26(33)38-16-14-35-18-20(17-28-35)23-5-4-6-24-30-25(32-36(23)24)29-21-7-9-22(10-8-21)37-15-13-34-11-2-3-12-34/h4-10,17-19H,2-3,11-16H2,1H3,(H,29,32)
InChIKeyWPJCWPRQGDFXRK-UHFFFAOYSA-N
MW530.66 g/mol
LogP3.73
Rot. Bonds11

About 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70832643) has the molecular formula C26H30N10OS and a molecular weight of 530.66 g/mol. Its IUPAC name is 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70832643
Molecular FormulaC26H30N10OS
Molecular Weight530.66 g/mol
Exact Mass530.23
IUPAC Name5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCn1cnnc1SCCn1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1
InChIInChI=1S/C26H30N10OS/c1-33-19-27-31-26(33)38-16-14-35-18-20(17-28-35)23-5-4-6-24-30-25(32-36(23)24)29-21-7-9-22(10-8-21)37-15-13-34-11-2-3-12-34/h4-10,17-19H,2-3,11-16H2,1H3,(H,29,32)
InChIKeyWPJCWPRQGDFXRK-UHFFFAOYSA-N
XLogP3.73
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

5-(1-propylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589769
2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetic acid
CID 59589906
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
[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylcarbamic acid
CID 143787996
3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanone
CID 158772855
N-methoxy-N-methyl-3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide
CID 59589556
N-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide
CID 59589807
5-[3-(cyclopropylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589822
5-(1-ethylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59590142
5-(1-pentylpyrazol-4-yl)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589944
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70832643) is 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cn1cnnc1SCCn1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1.
What is the InChIKey of 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WPJCWPRQGDFXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N10OS/c1-33-19-27-31-26(33)38-16-14-35-18-20(17-28-35)23-5-4-6-24-30-25(32-36(23)24)29-21-7-9-22(10-8-21)37-15-13-34-11-2-3-12-34/h4-10,17-19H,2-3,11-16H2,1H3,(H,29,32).
What are the key properties of 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 530.66 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazol-4-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70832643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).