7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C22H24N8O3 — CID 135129162

IUPAC7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCn1cc(-n2ccc3nc(Nc4cc5n(c4)CCNC5=O)nc(OC4CCOCC4)c32)cn1
InChIInChI=1S/C22H24N8O3/c1-28-13-15(11-24-28)30-6-2-17-19(30)21(33-16-3-8-32-9-4-16)27-22(26-17)25-14-10-18-20(31)23-5-7-29(18)12-14/h2,6,10-13,16H,3-5,7-9H2,1H3,(H,23,31)(H,25,26,27)
InChIKeyJFJQLKPTTAWKHU-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.00
Rot. Bonds5

About 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 135129162) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID135129162
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCn1cc(-n2ccc3nc(Nc4cc5n(c4)CCNC5=O)nc(OC4CCOCC4)c32)cn1
InChIInChI=1S/C22H24N8O3/c1-28-13-15(11-24-28)30-6-2-17-19(30)21(33-16-3-8-32-9-4-16)27-22(26-17)25-14-10-18-20(31)23-5-7-29(18)12-14/h2,6,10-13,16H,3-5,7-9H2,1H3,(H,23,31)(H,25,26,27)
InChIKeyJFJQLKPTTAWKHU-UHFFFAOYSA-N
XLogP2.00
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 135129162) is 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cn1cc(-n2ccc3nc(Nc4cc5n(c4)CCNC5=O)nc(OC4CCOCC4)c32)cn1.
What is the InChIKey of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is JFJQLKPTTAWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-28-13-15(11-24-28)30-6-2-17-19(30)21(33-16-3-8-32-9-4-16)27-22(26-17)25-14-10-18-20(31)23-5-7-29(18)12-14/h2,6,10-13,16H,3-5,7-9H2,1H3,(H,23,31)(H,25,26,27).
What are the key properties of 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 448.49 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 135129162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).