4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C17H22N6 — CID 5261004

IUPAC4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCN1CCN(c2nc(-c3cccnc3)nc3c2CNCC3)CC1
InChIInChI=1S/C17H22N6/c1-22-7-9-23(10-8-22)17-14-12-19-6-4-15(14)20-16(21-17)13-3-2-5-18-11-13/h2-3,5,11,19H,4,6-10,12H2,1H3
InChIKeyIXZXXIBYABVHGM-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.94
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 5261004) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID5261004
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCN1CCN(c2nc(-c3cccnc3)nc3c2CNCC3)CC1
InChIInChI=1S/C17H22N6/c1-22-7-9-23(10-8-22)17-14-12-19-6-4-15(14)20-16(21-17)13-3-2-5-18-11-13/h2-3,5,11,19H,4,6-10,12H2,1H3
InChIKeyIXZXXIBYABVHGM-UHFFFAOYSA-N
XLogP0.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

ethyl 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 5261006
4-(4-ethylsulfonylpiperazin-1-yl)-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56905290
2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 3654198
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
4-[(3R)-3-phenylpiperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 95723333
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634
4-[3-(propoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56871932
1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56870477
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387770
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
CID 5260828

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 5261004) is 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CN1CCN(c2nc(-c3cccnc3)nc3c2CNCC3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is IXZXXIBYABVHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-22-7-9-23(10-8-22)17-14-12-19-6-4-15(14)20-16(21-17)13-3-2-5-18-11-13/h2-3,5,11,19H,4,6-10,12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 310.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 5261004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).