5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C22H24ClN5O3 — CID 154861379

IUPAC5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCn4c(Cl)ccc4C3C)cc(C3CC3)nc21
InChIInChI=1S/C22H24ClN5O3/c1-3-8-28-19-18(20(29)25-22(28)31)14(11-15(24-19)13-4-5-13)21(30)26-9-10-27-16(12(26)2)6-7-17(27)23/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,25,29,31)
InChIKeyVZDITAMVPJMRHW-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.04
Rot. Bonds4

About 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 154861379) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID154861379
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCn4c(Cl)ccc4C3C)cc(C3CC3)nc21
InChIInChI=1S/C22H24ClN5O3/c1-3-8-28-19-18(20(29)25-22(28)31)14(11-15(24-19)13-4-5-13)21(30)26-9-10-27-16(12(26)2)6-7-17(27)23/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,25,29,31)
InChIKeyVZDITAMVPJMRHW-UHFFFAOYSA-N
XLogP3.04
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 154861379) is 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCn4c(Cl)ccc4C3C)cc(C3CC3)nc21.
What is the InChIKey of 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VZDITAMVPJMRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-3-8-28-19-18(20(29)25-22(28)31)14(11-15(24-19)13-4-5-13)21(30)26-9-10-27-16(12(26)2)6-7-17(27)23/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,25,29,31).
What are the key properties of 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 441.92 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 154861379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).