6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole

C21H24N8 — CID 171357704

IUPAC6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)N1C
InChIInChI=1S/C21H24N8/c1-14-11-28(12-15(2)27(14)3)20-9-21(23-13-22-20)29-19-8-16(18-6-7-24-26-18)4-5-17(19)10-25-29/h4-10,13-15H,11-12H2,1-3H3,(H,24,26)/t14-,15+
InChIKeyCNAPQDLGQLPJHQ-GASCZTMLSA-N
MW388.48 g/mol
LogP2.73
Rot. Bonds3

About 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole

6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole (PubChem CID 171357704) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole.

Molecular Properties

Compound Name6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole
PubChem CID171357704
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole
SMILESC[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)N1C
InChIInChI=1S/C21H24N8/c1-14-11-28(12-15(2)27(14)3)20-9-21(23-13-22-20)29-19-8-16(18-6-7-24-26-18)4-5-17(19)10-25-29/h4-10,13-15H,11-12H2,1-3H3,(H,24,26)/t14-,15+
InChIKeyCNAPQDLGQLPJHQ-GASCZTMLSA-N
XLogP2.73
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]cyclobutane-1-carbonitrile
CID 138550588
N-[[(2S)-2-[1-[6-[(3R,5S)-3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentan-2-yl]methyl]methanimine
CID 156518507
(2S)-2-[1-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 156518841
2-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 138544188
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057
5-[1-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 163646776
1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899176
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 142556755
6-methyl-1-pyrimidin-4-ylindazole
CID 123216048
(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
CID 162451568
5-(3,4-dimethylphenyl)-1H-pyrazole
CID 61395014

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole?
The IUPAC name of 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole (CID 171357704) is 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole.
What is the SMILES notation for 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole?
The canonical SMILES for 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole is C[C@@H]1CN(c2cc(-n3ncc4ccc(-c5ccn[nH]5)cc43)ncn2)C[C@H](C)N1C.
What is the InChIKey of 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole?
The InChIKey is CNAPQDLGQLPJHQ-GASCZTMLSA-N. The full InChI is InChI=1S/C21H24N8/c1-14-11-28(12-15(2)27(14)3)20-9-21(23-13-22-20)29-19-8-16(18-6-7-24-26-18)4-5-17(19)10-25-29/h4-10,13-15H,11-12H2,1-3H3,(H,24,26)/t14-,15+.
What are the key properties of 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole?
6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole has a molecular weight of 388.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-5-yl)-1-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]indazole is sourced from PubChem (CID 171357704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).