1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one

C19H26N6O — CID 118773803

IUPAC1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cccn1)C2
InChIInChI=1S/C19H26N6O/c1-15-21-17-14-24(18(26)6-4-11-25-12-5-8-20-25)13-7-16(17)19(22-15)23-9-2-3-10-23/h5,8,12H,2-4,6-7,9-11,13-14H2,1H3
InChIKeyNRTLSISYXBFMRU-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one

1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one (PubChem CID 118773803) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one
PubChem CID118773803
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cccn1)C2
InChIInChI=1S/C19H26N6O/c1-15-21-17-14-24(18(26)6-4-11-25-12-5-8-20-25)13-7-16(17)19(22-15)23-9-2-3-10-23/h5,8,12H,2-4,6-7,9-11,13-14H2,1H3
InChIKeyNRTLSISYXBFMRU-UHFFFAOYSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one (CID 118773803) is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cccn1)C2.
What is the InChIKey of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one?
The InChIKey is NRTLSISYXBFMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-15-21-17-14-24(18(26)6-4-11-25-12-5-8-20-25)13-7-16(17)19(22-15)23-9-2-3-10-23/h5,8,12H,2-4,6-7,9-11,13-14H2,1H3.
What are the key properties of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one?
1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one has a molecular weight of 354.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 118773803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).