oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate

C24H25N5O4S — CID 142507991

IUPACoxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate
SMILESO=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1)C1CC1
InChIInChI=1S/C24H25N5O4S/c30-22(14-1-2-14)28-23-27-18-4-3-15(12-20(18)34-23)16-11-19-21(26-13-16)25-7-8-29(19)24(31)33-17-5-9-32-10-6-17/h3-4,11-14,17H,1-2,5-10H2,(H,25,26)(H,27,28,30)
InChIKeyFYHDPTPKANPPCC-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.25
Rot. Bonds4

About oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate

oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate (PubChem CID 142507991) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate
PubChem CID142507991
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Nameoxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate
SMILESO=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1)C1CC1
InChIInChI=1S/C24H25N5O4S/c30-22(14-1-2-14)28-23-27-18-4-3-15(12-20(18)34-23)16-11-19-21(26-13-16)25-7-8-29(19)24(31)33-17-5-9-32-10-6-17/h3-4,11-14,17H,1-2,5-10H2,(H,25,26)(H,27,28,30)
InChIKeyFYHDPTPKANPPCC-UHFFFAOYSA-N
XLogP4.25
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate?
The IUPAC name of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate (CID 142507991) is oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate?
The canonical SMILES for oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate is O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1)C1CC1.
What is the InChIKey of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate?
The InChIKey is FYHDPTPKANPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c30-22(14-1-2-14)28-23-27-18-4-3-15(12-20(18)34-23)16-11-19-21(26-13-16)25-7-8-29(19)24(31)33-17-5-9-32-10-6-17/h3-4,11-14,17H,1-2,5-10H2,(H,25,26)(H,27,28,30).
What are the key properties of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate?
oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate has a molecular weight of 479.56 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate is sourced from PubChem (CID 142507991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).