6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C28H31N7 — CID 24911266

IUPAC6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C28H31N7/c1-21-25(28(34-15-6-3-7-16-34)35(32-21)24-8-4-2-5-9-24)20-33-17-12-26-23(19-33)18-30-27(31-26)22-10-13-29-14-11-22/h2,4-5,8-11,13-14,18H,3,6-7,12,15-17,19-20H2,1H3
InChIKeyZGNFNNRINGIBAT-UHFFFAOYSA-N
MW465.61 g/mol
LogP4.58
Rot. Bonds5

About 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911266) has the molecular formula C28H31N7 and a molecular weight of 465.61 g/mol. Its IUPAC name is 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911266
Molecular FormulaC28H31N7
Molecular Weight465.61 g/mol
Exact Mass465.26
IUPAC Name6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C28H31N7/c1-21-25(28(34-15-6-3-7-16-34)35(32-21)24-8-4-2-5-9-24)20-33-17-12-26-23(19-33)18-30-27(31-26)22-10-13-29-14-11-22/h2,4-5,8-11,13-14,18H,3,6-7,12,15-17,19-20H2,1H3
InChIKeyZGNFNNRINGIBAT-UHFFFAOYSA-N
XLogP4.58
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911278
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909734
4-[6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24909741
4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine
CID 24912586
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
2-tert-butyl-6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942823
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909725
4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24909127
6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942826
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909399
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909732

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911266) is 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1CN1CCc2nc(-c3ccncc3)ncc2C1.
What is the InChIKey of 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZGNFNNRINGIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7/c1-21-25(28(34-15-6-3-7-16-34)35(32-21)24-8-4-2-5-9-24)20-33-17-12-26-23(19-33)18-30-27(31-26)22-10-13-29-14-11-22/h2,4-5,8-11,13-14,18H,3,6-7,12,15-17,19-20H2,1H3.
What are the key properties of 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 465.61 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).