4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine

C29H32N8 — CID 164610267

IUPAC4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine
SMILESCC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C
InChIInChI=1S/C29H32N8/c1-19(2)28-23-17-20(5-8-25(23)34-36(28)4)24-9-11-31-29(33-24)32-21-6-7-22-26(18-21)30-12-10-27(22)37-15-13-35(3)14-16-37/h5-12,17-19H,13-16H2,1-4H3,(H,31,32,33)
InChIKeyNBSJZWFDNFWQDN-UHFFFAOYSA-N
MW492.63 g/mol
LogP5.20
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine

4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine (PubChem CID 164610267) has the molecular formula C29H32N8 and a molecular weight of 492.63 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine
PubChem CID164610267
Molecular FormulaC29H32N8
Molecular Weight492.63 g/mol
Exact Mass492.27
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine
SMILESCC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C
InChIInChI=1S/C29H32N8/c1-19(2)28-23-17-20(5-8-25(23)34-36(28)4)24-9-11-31-29(33-24)32-21-6-7-22-26(18-21)30-12-10-27(22)37-15-13-35(3)14-16-37/h5-12,17-19H,13-16H2,1-4H3,(H,31,32,33)
InChIKeyNBSJZWFDNFWQDN-UHFFFAOYSA-N
XLogP5.20
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine (CID 164610267) is 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine is CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine?
The InChIKey is NBSJZWFDNFWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8/c1-19(2)28-23-17-20(5-8-25(23)34-36(28)4)24-9-11-31-29(33-24)32-21-6-7-22-26(18-21)30-12-10-27(22)37-15-13-35(3)14-16-37/h5-12,17-19H,13-16H2,1-4H3,(H,31,32,33).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine?
4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine has a molecular weight of 492.63 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine is sourced from PubChem (CID 164610267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).