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

C23H27N7O — CID 90100899

IUPAC(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine
SMILESNC1CCO[C@H]1c1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C23H27N7O/c24-17-4-10-31-21(17)18-11-15(3-5-27-18)22-28-19-13-26-12-16(14-1-2-14)20(19)23(29-22)30-8-6-25-7-9-30/h3,5,11-14,17,21,25H,1-2,4,6-10,24H2/t17?,21-/m1/s1
InChIKeyOVJFEBRKJBCCII-FBLFFUNLSA-N
MW417.52 g/mol
LogP2.16
Rot. Bonds4

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

(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine (PubChem CID 90100899) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine
PubChem CID90100899
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine
SMILESNC1CCO[C@H]1c1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C23H27N7O/c24-17-4-10-31-21(17)18-11-15(3-5-27-18)22-28-19-13-26-12-16(14-1-2-14)20(19)23(29-22)30-8-6-25-7-9-30/h3,5,11-14,17,21,25H,1-2,4,6-10,24H2/t17?,21-/m1/s1
InChIKeyOVJFEBRKJBCCII-FBLFFUNLSA-N
XLogP2.16
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine?
The IUPAC name of (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine (CID 90100899) is (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine.
What is the SMILES notation for (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine?
The canonical SMILES for (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine is NC1CCO[C@H]1c1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine?
The InChIKey is OVJFEBRKJBCCII-FBLFFUNLSA-N. The full InChI is InChI=1S/C23H27N7O/c24-17-4-10-31-21(17)18-11-15(3-5-27-18)22-28-19-13-26-12-16(14-1-2-14)20(19)23(29-22)30-8-6-25-7-9-30/h3,5,11-14,17,21,25H,1-2,4,6-10,24H2/t17?,21-/m1/s1.
What are the key properties of (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine?
(2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine has a molecular weight of 417.52 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]oxolan-3-amine is sourced from PubChem (CID 90100899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).