(5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C16H20N6O2 — CID 56869564

IUPAC(5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-11-8-13(20-19-11)16(23)22-3-2-12-14(9-22)17-10-18-15(12)21-4-6-24-7-5-21/h8,10H,2-7,9H2,1H3,(H,19,20)
InChIKeyNDJXAQFKKOGOBP-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.54
Rot. Bonds2

About (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

(5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 56869564) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID56869564
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)n[nH]1
InChIInChI=1S/C16H20N6O2/c1-11-8-13(20-19-11)16(23)22-3-2-12-14(9-22)17-10-18-15(12)21-4-6-24-7-5-21/h8,10H,2-7,9H2,1H3,(H,19,20)
InChIKeyNDJXAQFKKOGOBP-UHFFFAOYSA-N
XLogP0.54
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 56869564) is (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is Cc1cc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is NDJXAQFKKOGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-8-13(20-19-11)16(23)22-3-2-12-14(9-22)17-10-18-15(12)21-4-6-24-7-5-21/h8,10H,2-7,9H2,1H3,(H,19,20).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 328.38 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 56869564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).