N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine

C24H25N7 — CID 90754084

IUPACN-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCN1CCN(c2cc(Nc3n[nH]c4ccccc34)nc(C=Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H25N7/c1-30-13-15-31(16-14-30)23-17-22(27-24-19-9-5-6-10-20(19)28-29-24)25-21(26-23)12-11-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H2,25,26,27,28,29)
InChIKeyCRDHBSPDHKUPFP-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.02
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine

N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 90754084) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID90754084
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCN1CCN(c2cc(Nc3n[nH]c4ccccc34)nc(C=Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H25N7/c1-30-13-15-31(16-14-30)23-17-22(27-24-19-9-5-6-10-20(19)28-29-24)25-21(26-23)12-11-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H2,25,26,27,28,29)
InChIKeyCRDHBSPDHKUPFP-UHFFFAOYSA-N
XLogP4.02
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

(2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 66576993
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 46219448
6-(4,4-dimethylpiperazin-4-ium-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 91155794
2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methylpyrazolidin-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 171036322
N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-phenylethenyl)pyrimidin-4-amine
CID 67429194
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 58571305
3-methyl-N-[6-(4-methylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]-1,4-dihydropyrazol-5-imine
CID 137146950
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-methylpyrrolidin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 89062021
4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
CID 92914556
N-[4-[2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]cyclopropanesulfonamide
CID 91544778
1-[6-(1H-indazol-3-ylamino)-2-propan-2-ylpyrimidin-4-yl]azetidin-3-ol
CID 166128713

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine (CID 90754084) is N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine is CN1CCN(c2cc(Nc3n[nH]c4ccccc34)nc(C=Cc3ccccc3)n2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is CRDHBSPDHKUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-30-13-15-31(16-14-30)23-17-22(27-24-19-9-5-6-10-20(19)28-29-24)25-21(26-23)12-11-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H2,25,26,27,28,29).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine?
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 411.51 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 90754084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).