4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one

C24H29N7O3 — CID 118869409

IUPAC4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one
SMILESO=C1CN(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)CCN1
InChIInChI=1S/C24H29N7O3/c32-21-16-30(9-8-25-21)19-15-20(29-10-13-33-14-11-29)28-23-17(19)4-6-26-24(23)18-5-7-27-31(18)22-3-1-2-12-34-22/h4-7,15,22H,1-3,8-14,16H2,(H,25,32)
InChIKeyMFCWSEHTIBGHLI-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.97
Rot. Bonds4

About 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one

4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one (PubChem CID 118869409) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one
PubChem CID118869409
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one
SMILESO=C1CN(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)CCN1
InChIInChI=1S/C24H29N7O3/c32-21-16-30(9-8-25-21)19-15-20(29-10-13-33-14-11-29)28-23-17(19)4-6-26-24(23)18-5-7-27-31(18)22-3-1-2-12-34-22/h4-7,15,22H,1-3,8-14,16H2,(H,25,32)
InChIKeyMFCWSEHTIBGHLI-UHFFFAOYSA-N
XLogP1.97
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one?
The IUPAC name of 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one (CID 118869409) is 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one is O=C1CN(c2cc(N3CCOCC3)nc3c(-c4ccnn4C4CCCCO4)nccc23)CCN1.
What is the InChIKey of 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one?
The InChIKey is MFCWSEHTIBGHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c32-21-16-30(9-8-25-21)19-15-20(29-10-13-33-14-11-29)28-23-17(19)4-6-26-24(23)18-5-7-27-31(18)22-3-1-2-12-34-22/h4-7,15,22H,1-3,8-14,16H2,(H,25,32).
What are the key properties of 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one?
4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one has a molecular weight of 463.54 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-morpholin-4-yl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]piperazin-2-one is sourced from PubChem (CID 118869409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).