3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine

C23H30N6 — CID 66959577

IUPAC3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine
SMILESCN1C=Nc2cc(-c3ccc(N4CCN(C)CC4)cc3)nc(N3CCCC3)c2C1
InChIInChI=1S/C23H30N6/c1-26-11-13-28(14-12-26)19-7-5-18(6-8-19)21-15-22-20(16-27(2)17-24-22)23(25-21)29-9-3-4-10-29/h5-8,15,17H,3-4,9-14,16H2,1-2H3
InChIKeyNCYNNALVARDRJC-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.21
Rot. Bonds3

About 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine

3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine (PubChem CID 66959577) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine
PubChem CID66959577
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine
SMILESCN1C=Nc2cc(-c3ccc(N4CCN(C)CC4)cc3)nc(N3CCCC3)c2C1
InChIInChI=1S/C23H30N6/c1-26-11-13-28(14-12-26)19-7-5-18(6-8-19)21-15-22-20(16-27(2)17-24-22)23(25-21)29-9-3-4-10-29/h5-8,15,17H,3-4,9-14,16H2,1-2H3
InChIKeyNCYNNALVARDRJC-UHFFFAOYSA-N
XLogP3.21
TPSA38.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-[[3-methyl-7-(4-morpholin-4-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-yl]amino]ethanol
CID 66959916
3-methyl-N-[(3R)-oxolan-3-yl]-7-(4-piperazin-1-ylphenyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66960077
N-cyclopropyl-3-methyl-7-(6-piperidin-1-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-5-amine
CID 66959667
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1-[7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridin-5-yl]azetidin-3-amine
CID 58398186
5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine
CID 44816203
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
CID 42887250
2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one
CID 56680431
2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
CID 58362670
1-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2,6-naphthyridine
CID 68599583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine (CID 66959577) is 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine is CN1C=Nc2cc(-c3ccc(N4CCN(C)CC4)cc3)nc(N3CCCC3)c2C1.
What is the InChIKey of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine?
The InChIKey is NCYNNALVARDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-26-11-13-28(14-12-26)19-7-5-18(6-8-19)21-15-22-20(16-27(2)17-24-22)23(25-21)29-9-3-4-10-29/h5-8,15,17H,3-4,9-14,16H2,1-2H3.
What are the key properties of 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine?
3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine has a molecular weight of 390.54 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-yl-4H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 66959577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).