6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine

C23H21N7O — CID 166540103

IUPAC6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4ccc(N5CC6(CCN6)C5)nc34)nc2)cc1
InChIInChI=1S/C23H21N7O/c1-2-4-16(5-3-1)31-17-6-8-19(24-12-17)28-22-21-18(25-15-26-22)7-9-20(29-21)30-13-23(14-30)10-11-27-23/h1-9,12,15,27H,10-11,13-14H2,(H,24,25,26,28)
InChIKeyVBUOFZYVTRSCTE-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.51
Rot. Bonds5

About 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine

6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166540103) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166540103
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4ccc(N5CC6(CCN6)C5)nc34)nc2)cc1
InChIInChI=1S/C23H21N7O/c1-2-4-16(5-3-1)31-17-6-8-19(24-12-17)28-22-21-18(25-15-26-22)7-9-20(29-21)30-13-23(14-30)10-11-27-23/h1-9,12,15,27H,10-11,13-14H2,(H,24,25,26,28)
InChIKeyVBUOFZYVTRSCTE-UHFFFAOYSA-N
XLogP3.51
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (CID 166540103) is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is c1ccc(Oc2ccc(Nc3ncnc4ccc(N5CC6(CCN6)C5)nc34)nc2)cc1.
What is the InChIKey of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is VBUOFZYVTRSCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-2-4-16(5-3-1)31-17-6-8-19(24-12-17)28-22-21-18(25-15-26-22)7-9-20(29-21)30-13-23(14-30)10-11-27-23/h1-9,12,15,27H,10-11,13-14H2,(H,24,25,26,28).
What are the key properties of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 411.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166540103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).