5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane

C26H30ClN11 — CID 154658210

IUPAC5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane
SMILESC/C=C\N(C)NCc1nc(N)c(-c2cn(Cc3ccccn3)nn2)nc1-c1ccc2n[nH]c(Cl)c2c1.CC
InChIInChI=1S/C24H24ClN11.C2H6/c1-3-10-35(2)28-12-19-21(15-7-8-18-17(11-15)23(25)33-31-18)30-22(24(26)29-19)20-14-36(34-32-20)13-16-6-4-5-9-27-16;1-2/h3-11,14,28H,12-13H2,1-2H3,(H2,26,29)(H,31,33);1-2H3/b10-3-;
InChIKeyHRCCCUGOYJACAE-HVHUWTQGSA-N
MW532.06 g/mol
LogP4.45
Rot. Bonds8

About 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane

5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane (PubChem CID 154658210) has the molecular formula C26H30ClN11 and a molecular weight of 532.06 g/mol. Its IUPAC name is 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane.

Molecular Properties

Compound Name5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane
PubChem CID154658210
Molecular FormulaC26H30ClN11
Molecular Weight532.06 g/mol
Exact Mass531.24
IUPAC Name5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane
SMILESC/C=C\N(C)NCc1nc(N)c(-c2cn(Cc3ccccn3)nn2)nc1-c1ccc2n[nH]c(Cl)c2c1.CC
InChIInChI=1S/C24H24ClN11.C2H6/c1-3-10-35(2)28-12-19-21(15-7-8-18-17(11-15)23(25)33-31-18)30-22(24(26)29-19)20-14-36(34-32-20)13-16-6-4-5-9-27-16;1-2/h3-11,14,28H,12-13H2,1-2H3,(H2,26,29)(H,31,33);1-2H3/b10-3-;
InChIKeyHRCCCUGOYJACAE-HVHUWTQGSA-N
XLogP4.45
TPSA139.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.06
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
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CID 70679308
N-(1-(1-((2-Chloro-6-methylpyridin-4-yl)methyl)-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
CID 11422298
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
US10485800, Cmpd ID FS
CID 54765268
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
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6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959617
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959736
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
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5-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253391
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane?
The IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane (CID 154658210) is 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane.
What is the SMILES notation for 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane?
The canonical SMILES for 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane is C/C=C\N(C)NCc1nc(N)c(-c2cn(Cc3ccccn3)nn2)nc1-c1ccc2n[nH]c(Cl)c2c1.CC.
What is the InChIKey of 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane?
The InChIKey is HRCCCUGOYJACAE-HVHUWTQGSA-N. The full InChI is InChI=1S/C24H24ClN11.C2H6/c1-3-10-35(2)28-12-19-21(15-7-8-18-17(11-15)23(25)33-31-18)30-22(24(26)29-19)20-14-36(34-32-20)13-16-6-4-5-9-27-16;1-2/h3-11,14,28H,12-13H2,1-2H3,(H2,26,29)(H,31,33);1-2H3/b10-3-;.
What are the key properties of 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane?
5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane has a molecular weight of 532.06 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane is sourced from PubChem (CID 154658210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).