2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide

C16H18N4O2 — CID 3249106

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C16H18N4O2/c1-3-8-17-15(22)10-19-13-7-5-4-6-12(13)16-18-14(21)9-11(2)20(16)19/h4-7,9H,3,8,10H2,1-2H3,(H,17,22)
InChIKeyXNDUYDDVISQTTM-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide (PubChem CID 3249106) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide
PubChem CID3249106
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C16H18N4O2/c1-3-8-17-15(22)10-19-13-7-5-4-6-12(13)16-18-14(21)9-11(2)20(16)19/h4-7,9H,3,8,10H2,1-2H3,(H,17,22)
InChIKeyXNDUYDDVISQTTM-UHFFFAOYSA-N
XLogP1.48
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide (CID 3249106) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide is CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide?
The InChIKey is XNDUYDDVISQTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-8-17-15(22)10-19-13-7-5-4-6-12(13)16-18-14(21)9-11(2)20(16)19/h4-7,9H,3,8,10H2,1-2H3,(H,17,22).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide has a molecular weight of 298.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide is sourced from PubChem (CID 3249106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).