4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C23H29N5O — CID 24908492

IUPAC4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(CN2CCc3nc(C(C)(C)C)ncc3C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H29N5O/c1-16-19(21(29)28(26(16)5)18-9-7-6-8-10-18)15-27-12-11-20-17(14-27)13-24-22(25-20)23(2,3)4/h6-10,13H,11-12,14-15H2,1-5H3
InChIKeyRQEIIOROTKYPPA-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.13
Rot. Bonds3

About 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 24908492) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID24908492
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(CN2CCc3nc(C(C)(C)C)ncc3C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H29N5O/c1-16-19(21(29)28(26(16)5)18-9-7-6-8-10-18)15-27-12-11-20-17(14-27)13-24-22(25-20)23(2,3)4/h6-10,13H,11-12,14-15H2,1-5H3
InChIKeyRQEIIOROTKYPPA-UHFFFAOYSA-N
XLogP3.13
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24908496
5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine
CID 24912878
2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912563
5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid
CID 136555483
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911597
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917392
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-tert-butyl-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909749
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
2-tert-butyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 24908492) is 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(CN2CCc3nc(C(C)(C)C)ncc3C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is RQEIIOROTKYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-19(21(29)28(26(16)5)18-9-7-6-8-10-18)15-27-12-11-20-17(14-27)13-24-22(25-20)23(2,3)4/h6-10,13H,11-12,14-15H2,1-5H3.
What are the key properties of 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 391.52 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 24908492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).