2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C26H26N4O — CID 134808572

IUPAC2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1OCc1ccccc1)N(Cc1cccnc1)CCC2
InChIInChI=1S/C26H26N4O/c1-20-25(23-12-5-6-13-24(23)31-19-21-9-3-2-4-10-21)26-29(15-8-16-30(26)28-20)18-22-11-7-14-27-17-22/h2-7,9-14,17H,8,15-16,18-19H2,1H3
InChIKeyNWDDLQGVCWXBAY-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.24
Rot. Bonds6

About 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134808572) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134808572
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1OCc1ccccc1)N(Cc1cccnc1)CCC2
InChIInChI=1S/C26H26N4O/c1-20-25(23-12-5-6-13-24(23)31-19-21-9-3-2-4-10-21)26-29(15-8-16-30(26)28-20)18-22-11-7-14-27-17-22/h2-7,9-14,17H,8,15-16,18-19H2,1H3
InChIKeyNWDDLQGVCWXBAY-UHFFFAOYSA-N
XLogP5.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenoxy]acetic acid
CID 134810064
4-[3-[2-methyl-4-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]morpholine
CID 134805785
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
CID 99839545
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
1-(2,2-difluoroethyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepane
CID 126803303
2-(2-phenylmethoxyphenyl)-1,3-oxazole;pyridine
CID 175115317
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
1-[(1S,2S)-2-hydroxycyclohexyl]-4-[2-[(4-pyridin-3-ylphenyl)methoxy]phenyl]pyridin-2-one
CID 127026701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134808572) is 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1OCc1ccccc1)N(Cc1cccnc1)CCC2.
What is the InChIKey of 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is NWDDLQGVCWXBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-20-25(23-12-5-6-13-24(23)31-19-21-9-3-2-4-10-21)26-29(15-8-16-30(26)28-20)18-22-11-7-14-27-17-22/h2-7,9-14,17H,8,15-16,18-19H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 410.52 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134808572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).