N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide

C23H30N6O2 — CID 123166073

IUPACN-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(c2cc(C3=Nc4ccc(OC(C)C)cc43)ncn2)CC1
InChIInChI=1S/C23H30N6O2/c1-15(2)26-22(30)13-28-7-9-29(10-8-28)21-12-20(24-14-25-21)23-18-11-17(31-16(3)4)5-6-19(18)27-23/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,26,30)
InChIKeyBQRCQUFJKWMMKD-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.39
Rot. Bonds7

About N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide (PubChem CID 123166073) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide
PubChem CID123166073
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(c2cc(C3=Nc4ccc(OC(C)C)cc43)ncn2)CC1
InChIInChI=1S/C23H30N6O2/c1-15(2)26-22(30)13-28-7-9-29(10-8-28)21-12-20(24-14-25-21)23-18-11-17(31-16(3)4)5-6-19(18)27-23/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,26,30)
InChIKeyBQRCQUFJKWMMKD-UHFFFAOYSA-N
XLogP2.39
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

8-[6-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123289473
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
4-[6-[3-(1-methoxypropan-2-yloxy)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 123557482
2-[4-[6-(4-fluoro-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1,3,5,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 123190556
8-[6-[4-(1-cyclobutylethyl)piperazin-1-yl]pyrimidin-4-yl]-3-(1-methylcyclopropyl)oxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123930604
8-[6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]-3-(1-methoxypropan-2-yloxy)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123166024
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
8-[2-(4-methylsulfanyl-1,4-diazepan-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123221378
3-(1-methylcyclopropyl)oxy-8-[6-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123401482
2-[4-(5-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 129074862
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide (CID 123166073) is N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(c2cc(C3=Nc4ccc(OC(C)C)cc43)ncn2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
The InChIKey is BQRCQUFJKWMMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15(2)26-22(30)13-28-7-9-29(10-8-28)21-12-20(24-14-25-21)23-18-11-17(31-16(3)4)5-6-19(18)27-23/h5-6,11-12,14-16H,7-10,13H2,1-4H3,(H,26,30).
What are the key properties of N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 123166073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).