4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine

C23H27N7O — CID 90098558

IUPAC4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine
SMILESc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc(NC2CCOC2)n1
InChIInChI=1S/C23H27N7O/c1-2-15(1)18-12-25-13-19-21(18)23(30-8-6-24-7-9-30)29-22(28-19)16-3-5-26-20(11-16)27-17-4-10-31-14-17/h3,5,11-13,15,17,24H,1-2,4,6-10,14H2,(H,26,27)
InChIKeyOLBQSDDSPBHUDY-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.57
Rot. Bonds5

About 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine

4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine (PubChem CID 90098558) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine
PubChem CID90098558
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine
SMILESc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc(NC2CCOC2)n1
InChIInChI=1S/C23H27N7O/c1-2-15(1)18-12-25-13-19-21(18)23(30-8-6-24-7-9-30)29-22(28-19)16-3-5-26-20(11-16)27-17-4-10-31-14-17/h3,5,11-13,15,17,24H,1-2,4,6-10,14H2,(H,26,27)
InChIKeyOLBQSDDSPBHUDY-UHFFFAOYSA-N
XLogP2.57
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine (CID 90098558) is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine is c1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc(NC2CCOC2)n1.
What is the InChIKey of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is OLBQSDDSPBHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-2-15(1)18-12-25-13-19-21(18)23(30-8-6-24-7-9-30)29-22(28-19)16-3-5-26-20(11-16)27-17-4-10-31-14-17/h3,5,11-13,15,17,24H,1-2,4,6-10,14H2,(H,26,27).
What are the key properties of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine?
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 417.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 90098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).