5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole

C21H26ClN5 — CID 90646321

IUPAC5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
SMILESCc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(Cl)cc34)CC2)n1
InChIInChI=1S/C21H26ClN5/c1-15-12-16(2)25-21(24-15)27-10-8-26(9-11-27)7-3-4-17-14-23-20-6-5-18(22)13-19(17)20/h5-6,12-14,23H,3-4,7-11H2,1-2H3
InChIKeyJWKNAILDXPGOHD-UHFFFAOYSA-N
MW383.93 g/mol
LogP3.98
Rot. Bonds5

About 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole

5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 90646321) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
PubChem CID90646321
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
SMILESCc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(Cl)cc34)CC2)n1
InChIInChI=1S/C21H26ClN5/c1-15-12-16(2)25-21(24-15)27-10-8-26(9-11-27)7-3-4-17-14-23-20-6-5-18(22)13-19(17)20/h5-6,12-14,23H,3-4,7-11H2,1-2H3
InChIKeyJWKNAILDXPGOHD-UHFFFAOYSA-N
XLogP3.98
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole with MolForge

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Related Compounds

L-745870
CID 5311200
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
4-(4-Amino-6-(5-chloro-1H-indol-4-ylmethyl)-(1,3,5)triazin-2-ylamino)-benzonitrile
CID 448533
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
Tuspetinib
CID 135390910
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
Bms-279700
CID 9844320
B-Raf inhibitor 1
CID 44223999
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole (CID 90646321) is 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole is Cc1cc(C)nc(N2CCN(CCCc3c[nH]c4ccc(Cl)cc34)CC2)n1.
What is the InChIKey of 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is JWKNAILDXPGOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5/c1-15-12-16(2)25-21(24-15)27-10-8-26(9-11-27)7-3-4-17-14-23-20-6-5-18(22)13-19(17)20/h5-6,12-14,23H,3-4,7-11H2,1-2H3.
What are the key properties of 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 383.93 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 90646321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).