7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C19H22ClN5O3 — CID 58761884

IUPAC7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)c1c(Cl)c(-c2cccnc2)n2c1CN(C(=O)NC1CCOCC1)CC2
InChIInChI=1S/C19H22ClN5O3/c20-16-15(18(21)26)14-11-24(19(27)23-13-3-8-28-9-4-13)6-7-25(14)17(16)12-2-1-5-22-10-12/h1-2,5,10,13H,3-4,6-9,11H2,(H2,21,26)(H,23,27)
InChIKeyZUXIHATYUNSEJB-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.01
Rot. Bonds3

About 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 58761884) has the molecular formula C19H22ClN5O3 and a molecular weight of 403.87 g/mol. Its IUPAC name is 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID58761884
Molecular FormulaC19H22ClN5O3
Molecular Weight403.87 g/mol
Exact Mass403.14
IUPAC Name7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)c1c(Cl)c(-c2cccnc2)n2c1CN(C(=O)NC1CCOCC1)CC2
InChIInChI=1S/C19H22ClN5O3/c20-16-15(18(21)26)14-11-24(19(27)23-13-3-8-28-9-4-13)6-7-25(14)17(16)12-2-1-5-22-10-12/h1-2,5,10,13H,3-4,6-9,11H2,(H2,21,26)(H,23,27)
InChIKeyZUXIHATYUNSEJB-UHFFFAOYSA-N
XLogP2.01
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 58761884) is 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is NC(=O)c1c(Cl)c(-c2cccnc2)n2c1CN(C(=O)NC1CCOCC1)CC2.
What is the InChIKey of 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is ZUXIHATYUNSEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3/c20-16-15(18(21)26)14-11-24(19(27)23-13-3-8-28-9-4-13)6-7-25(14)17(16)12-2-1-5-22-10-12/h1-2,5,10,13H,3-4,6-9,11H2,(H2,21,26)(H,23,27).
What are the key properties of 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 403.87 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 58761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).