5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine

C23H22ClN9 — CID 154604521

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine
SMILESCc1cccc(CCNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)n1
InChIInChI=1S/C23H22ClN9/c1-13-4-3-5-16(28-13)6-8-26-23-22(25)29-21(18-7-9-33(2)32-18)20(30-23)14-10-15-12-27-31-19(15)17(24)11-14/h3-5,7,9-12H,6,8H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyBEJICPUYLFRLKN-UHFFFAOYSA-N
MW459.95 g/mol
LogP4.01
Rot. Bonds6

About 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine

5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine (PubChem CID 154604521) has the molecular formula C23H22ClN9 and a molecular weight of 459.95 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine
PubChem CID154604521
Molecular FormulaC23H22ClN9
Molecular Weight459.95 g/mol
Exact Mass459.17
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine
SMILESCc1cccc(CCNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)n1
InChIInChI=1S/C23H22ClN9/c1-13-4-3-5-16(28-13)6-8-26-23-22(25)29-21(18-7-9-33(2)32-18)20(30-23)14-10-15-12-27-31-19(15)17(24)11-14/h3-5,7,9-12H,6,8H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyBEJICPUYLFRLKN-UHFFFAOYSA-N
XLogP4.01
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine (CID 154604521) is 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine is Cc1cccc(CCNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine?
The InChIKey is BEJICPUYLFRLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN9/c1-13-4-3-5-16(28-13)6-8-26-23-22(25)29-21(18-7-9-33(2)32-18)20(30-23)14-10-15-12-27-31-19(15)17(24)11-14/h3-5,7,9-12H,6,8H2,1-2H3,(H2,25,29)(H,26,30)(H,27,31).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine?
5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine has a molecular weight of 459.95 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 154604521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).