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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Related Compounds

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
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
5-(2,6-difluorophenyl)-3-(6-piperazin-1-ylpyrazin-2-yl)-1H-indazole
CID 67959845
1-(6-(5-(2,6-difluorophenyl)-1H-indazol-3-yl)pyrazin-2-yl)piperidin-3-amine
CID 67960139
6-(3-methyl-2H-indazol-5-yl)-N-piperidin-4-ylpyrazin-2-amine
CID 154654852
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
CID 162647288
(8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-cyclohexyl-amine
CID 10547577
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine
CID 118725600
5-(2-phenylethyl)-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole
CID 155511218
4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine
CID 155517517
6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 155546098

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).