6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile

C24H22ClN7 — CID 137431740

IUPAC6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
SMILESCN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1
InChIInChI=1S/C24H22ClN7/c1-32-9-7-18(8-10-32)28-24-20(13-26)29-23(22(30-24)15-5-3-2-4-6-15)16-11-17-14-27-31-21(17)19(25)12-16/h2-6,11-12,14,18H,7-10H2,1H3,(H,27,31)(H,28,30)
InChIKeySAHZDNCBPODZHL-UHFFFAOYSA-N
MW443.94 g/mol
LogP4.72
Rot. Bonds4

About 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile

6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile (PubChem CID 137431740) has the molecular formula C24H22ClN7 and a molecular weight of 443.94 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
PubChem CID137431740
Molecular FormulaC24H22ClN7
Molecular Weight443.94 g/mol
Exact Mass443.16
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
SMILESCN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1
InChIInChI=1S/C24H22ClN7/c1-32-9-7-18(8-10-32)28-24-20(13-26)29-23(22(30-24)15-5-3-2-4-6-15)16-11-17-14-27-31-21(17)19(25)12-16/h2-6,11-12,14,18H,7-10H2,1H3,(H,27,31)(H,28,30)
InChIKeySAHZDNCBPODZHL-UHFFFAOYSA-N
XLogP4.72
TPSA93.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile (CID 137431740) is 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile is CN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile?
The InChIKey is SAHZDNCBPODZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7/c1-32-9-7-18(8-10-32)28-24-20(13-26)29-23(22(30-24)15-5-3-2-4-6-15)16-11-17-14-27-31-21(17)19(25)12-16/h2-6,11-12,14,18H,7-10H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile?
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile has a molecular weight of 443.94 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile is sourced from PubChem (CID 137431740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).