N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine

C27H33FN6S — CID 176959365

IUPACN-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine
SMILESC=CNc1cc(-c2n[nH]c(CCC)n2)c(F)cc1SCCC1(C)CC1.Cc1cnn2ccccc12
InChIInChI=1S/C19H25FN4S.C8H8N2/c1-4-6-17-22-18(24-23-17)13-11-15(21-5-2)16(12-14(13)20)25-10-9-19(3)7-8-19;1-7-6-9-10-5-3-2-4-8(7)10/h5,11-12,21H,2,4,6-10H2,1,3H3,(H,22,23,24);2-6H,1H3
InChIKeyCHPONDSTPYUWTE-UHFFFAOYSA-N
MW492.67 g/mol
LogP7.04
Rot. Bonds9

About N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine

N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine (PubChem CID 176959365) has the molecular formula C27H33FN6S and a molecular weight of 492.67 g/mol. Its IUPAC name is N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound NameN-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine
PubChem CID176959365
Molecular FormulaC27H33FN6S
Molecular Weight492.67 g/mol
Exact Mass492.25
IUPAC NameN-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine
SMILESC=CNc1cc(-c2n[nH]c(CCC)n2)c(F)cc1SCCC1(C)CC1.Cc1cnn2ccccc12
InChIInChI=1S/C19H25FN4S.C8H8N2/c1-4-6-17-22-18(24-23-17)13-11-15(21-5-2)16(12-14(13)20)25-10-9-19(3)7-8-19;1-7-6-9-10-5-3-2-4-8(7)10/h5,11-12,21H,2,4,6-10H2,1,3H3,(H,22,23,24);2-6H,1H3
InChIKeyCHPONDSTPYUWTE-UHFFFAOYSA-N
XLogP7.04
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

3-(5-propyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine
CID 103119741
2-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61339107
3-(3-chloro-2-fluorophenyl)-5-propyl-1H-1,2,4-triazole
CID 81266297
5-fluoro-6-pyrazolo[1,5-a]pyridin-3-yl-1H-pyrazolo[3,4-b]pyridine
CID 59528106
2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)aniline
CID 66270477
3-(2-fluoro-6-methoxyphenyl)-5-propyl-1H-1,2,4-triazole
CID 65432295
4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 115412368
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485
N,N-dimethyl-3-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61337119
3-(2,5-dibromothiophen-3-yl)-5-propyl-1H-1,2,4-triazole
CID 107963148
2-methyl-5-propyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-4-amine
CID 56917474
2-[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103083999

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine (CID 176959365) is N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine is C=CNc1cc(-c2n[nH]c(CCC)n2)c(F)cc1SCCC1(C)CC1.Cc1cnn2ccccc12.
What is the InChIKey of N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine?
The InChIKey is CHPONDSTPYUWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4S.C8H8N2/c1-4-6-17-22-18(24-23-17)13-11-15(21-5-2)16(12-14(13)20)25-10-9-19(3)7-8-19;1-7-6-9-10-5-3-2-4-8(7)10/h5,11-12,21H,2,4,6-10H2,1,3H3,(H,22,23,24);2-6H,1H3.
What are the key properties of N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine?
N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine has a molecular weight of 492.67 g/mol, XLogP of 7.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-fluoro-2-[2-(1-methylcyclopropyl)ethylsulfanyl]-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline;3-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 176959365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).