2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate

C27H33FN6O5 — CID 91116465

IUPAC2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)N(C(=O)OCc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1
InChIInChI=1S/C27H33FN6O5/c1-27(2,3)34(26(36)39-17-18-14-21-22(15-29-18)38-13-12-37-21)19-6-8-32(9-7-19)10-11-33-24(35)16-30-20-4-5-23(28)31-25(20)33/h4-5,14-16,19H,6-13,17H2,1-3H3
InChIKeyOUOVOTXSMMATCS-UHFFFAOYSA-N
MW540.60 g/mol
LogP3.00
Rot. Bonds6

About 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 91116465) has the molecular formula C27H33FN6O5 and a molecular weight of 540.60 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID91116465
Molecular FormulaC27H33FN6O5
Molecular Weight540.60 g/mol
Exact Mass540.25
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)N(C(=O)OCc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1
InChIInChI=1S/C27H33FN6O5/c1-27(2,3)34(26(36)39-17-18-14-21-22(15-29-18)38-13-12-37-21)19-6-8-32(9-7-19)10-11-33-24(35)16-30-20-4-5-23(28)31-25(20)33/h4-5,14-16,19H,6-13,17H2,1-3H3
InChIKeyOUOVOTXSMMATCS-UHFFFAOYSA-N
XLogP3.00
TPSA111.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate (CID 91116465) is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate is CC(C)(C)N(C(=O)OCc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cnc3ccc(F)nc32)CC1.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is OUOVOTXSMMATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O5/c1-27(2,3)34(26(36)39-17-18-14-21-22(15-29-18)38-13-12-37-21)19-6-8-32(9-7-19)10-11-33-24(35)16-30-20-4-5-23(28)31-25(20)33/h4-5,14-16,19H,6-13,17H2,1-3H3.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate?
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 540.60 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-tert-butyl-N-[1-[2-(6-fluoro-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 91116465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).