(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

C29H29N5O5 — CID 118632764

IUPAC(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C29H29N5O5/c1-17(2)33-10-11-34-20(12-23(35)26(25(34)28(33)36)38-15-18-6-4-3-5-7-18)16-39-29(37)21-13-30-27-24(21)32-22(14-31-27)19-8-9-19/h3-7,12-14,17,19H,8-11,15-16H2,1-2H3,(H,30,31)
InChIKeyFJZNLALTCINUEC-UHFFFAOYSA-N
MW527.58 g/mol
LogP3.80
Rot. Bonds8

About (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 118632764) has the molecular formula C29H29N5O5 and a molecular weight of 527.58 g/mol. Its IUPAC name is (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Name(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
PubChem CID118632764
Molecular FormulaC29H29N5O5
Molecular Weight527.58 g/mol
Exact Mass527.22
IUPAC Name(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
SMILESCC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C29H29N5O5/c1-17(2)33-10-11-34-20(12-23(35)26(25(34)28(33)36)38-15-18-6-4-3-5-7-18)16-39-29(37)21-13-30-27-24(21)32-22(14-31-27)19-8-9-19/h3-7,12-14,17,19H,8-11,15-16H2,1-2H3,(H,30,31)
InChIKeyFJZNLALTCINUEC-UHFFFAOYSA-N
XLogP3.80
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 118632764) is (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is CC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
The InChIKey is FJZNLALTCINUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O5/c1-17(2)33-10-11-34-20(12-23(35)26(25(34)28(33)36)38-15-18-6-4-3-5-7-18)16-39-29(37)21-13-30-27-24(21)32-22(14-31-27)19-8-9-19/h3-7,12-14,17,19H,8-11,15-16H2,1-2H3,(H,30,31).
What are the key properties of (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?
(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 527.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 118632764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).