1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C25H24N10O3 — CID 129089236

IUPAC1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILES[H]/N=C(\COC)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(-n6cccn6)nc5)nc4c32)CC1
InChIInChI=1S/C25H24N10O3/c1-38-14-20(26)33-9-5-16(6-10-33)35-22-17(23(36)32-25(35)37)13-27-19-4-3-18(31-21(19)22)15-11-28-24(29-12-15)34-8-2-7-30-34/h2-4,7-8,11-13,16,26H,5-6,9-10,14H2,1H3,(H,32,36,37)/b26-20+
InChIKeyDNGJZBXBNSFCLA-LHLOQNFPSA-N
MW512.53 g/mol
LogP1.54
Rot. Bonds5

About 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 129089236) has the molecular formula C25H24N10O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID129089236
Molecular FormulaC25H24N10O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC Name1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILES[H]/N=C(\COC)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(-n6cccn6)nc5)nc4c32)CC1
InChIInChI=1S/C25H24N10O3/c1-38-14-20(26)33-9-5-16(6-10-33)35-22-17(23(36)32-25(35)37)13-27-19-4-3-18(31-21(19)22)15-11-28-24(29-12-15)34-8-2-7-30-34/h2-4,7-8,11-13,16,26H,5-6,9-10,14H2,1H3,(H,32,36,37)/b26-20+
InChIKeyDNGJZBXBNSFCLA-LHLOQNFPSA-N
XLogP1.54
TPSA160.56 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 129089236) is 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is [H]/N=C(\COC)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(-n6cccn6)nc5)nc4c32)CC1.
What is the InChIKey of 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is DNGJZBXBNSFCLA-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H24N10O3/c1-38-14-20(26)33-9-5-16(6-10-33)35-22-17(23(36)32-25(35)37)13-27-19-4-3-18(31-21(19)22)15-11-28-24(29-12-15)34-8-2-7-30-34/h2-4,7-8,11-13,16,26H,5-6,9-10,14H2,1H3,(H,32,36,37)/b26-20+.
What are the key properties of 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 512.53 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethanimidoyl)piperidin-4-yl]-9-(2-pyrazol-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 129089236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).