6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one

C20H17N7O2 — CID 126940401

IUPAC6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1COCC1Nc1ncnc2ncccc12
InChIInChI=1S/C20H17N7O2/c28-18-4-3-15(13-5-8-21-9-6-13)26-27(18)17-11-29-10-16(17)25-20-14-2-1-7-22-19(14)23-12-24-20/h1-9,12,16-17H,10-11H2,(H,22,23,24,25)
InChIKeyRJEORBGESFGJQV-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.70
Rot. Bonds4

About 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one

6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126940401) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126940401
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1COCC1Nc1ncnc2ncccc12
InChIInChI=1S/C20H17N7O2/c28-18-4-3-15(13-5-8-21-9-6-13)26-27(18)17-11-29-10-16(17)25-20-14-2-1-7-22-19(14)23-12-24-20/h1-9,12,16-17H,10-11H2,(H,22,23,24,25)
InChIKeyRJEORBGESFGJQV-UHFFFAOYSA-N
XLogP1.70
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126940401) is 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1COCC1Nc1ncnc2ncccc12.
What is the InChIKey of 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is RJEORBGESFGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c28-18-4-3-15(13-5-8-21-9-6-13)26-27(18)17-11-29-10-16(17)25-20-14-2-1-7-22-19(14)23-12-24-20/h1-9,12,16-17H,10-11H2,(H,22,23,24,25).
What are the key properties of 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 387.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126940401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).