6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H23N5O — CID 24917187

IUPAC6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cnc(OCC2CC2)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1
InChIInChI=1S/C22H23N5O/c1-2-18(22(24-8-1)28-15-16-3-4-16)13-27-11-7-20-19(14-27)12-25-21(26-20)17-5-9-23-10-6-17/h1-2,5-6,8-10,12,16H,3-4,7,11,13-15H2
InChIKeyDCZUKMXTWDEIBH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.28
Rot. Bonds6

About 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917187) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917187
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cnc(OCC2CC2)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1
InChIInChI=1S/C22H23N5O/c1-2-18(22(24-8-1)28-15-16-3-4-16)13-27-11-7-20-19(14-27)12-25-21(26-20)17-5-9-23-10-6-17/h1-2,5-6,8-10,12,16H,3-4,7,11,13-15H2
InChIKeyDCZUKMXTWDEIBH-UHFFFAOYSA-N
XLogP3.28
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917193
2-(4-chlorophenyl)-6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917198
6-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916270
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24911662
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912694
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909880
6-[(2-fluoro-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913102
6-[(2-ethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929368
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
CID 24913513

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917187) is 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cnc(OCC2CC2)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1.
What is the InChIKey of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DCZUKMXTWDEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-18(22(24-8-1)28-15-16-3-4-16)13-27-11-7-20-19(14-27)12-25-21(26-20)17-5-9-23-10-6-17/h1-2,5-6,8-10,12,16H,3-4,7,11,13-15H2.
What are the key properties of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).