N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine

C26H25N7 — CID 22727449

IUPACN-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ncc3cc(Nc4ncnc5cnc(N6CCCCC6)cc45)ccc32)cc1
InChIInChI=1S/C26H25N7/c1-3-7-19(8-4-1)17-33-24-10-9-21(13-20(24)15-30-33)31-26-22-14-25(32-11-5-2-6-12-32)27-16-23(22)28-18-29-26/h1,3-4,7-10,13-16,18H,2,5-6,11-12,17H2,(H,28,29,31)
InChIKeyOEYOUMHPXUXUIQ-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.16
Rot. Bonds5

About N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine

N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 22727449) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID22727449
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC NameN-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(Cn2ncc3cc(Nc4ncnc5cnc(N6CCCCC6)cc45)ccc32)cc1
InChIInChI=1S/C26H25N7/c1-3-7-19(8-4-1)17-33-24-10-9-21(13-20(24)15-30-33)31-26-22-14-25(32-11-5-2-6-12-32)27-16-23(22)28-18-29-26/h1,3-4,7-10,13-16,18H,2,5-6,11-12,17H2,(H,28,29,31)
InChIKeyOEYOUMHPXUXUIQ-UHFFFAOYSA-N
XLogP5.16
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine (CID 22727449) is N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine is c1ccc(Cn2ncc3cc(Nc4ncnc5cnc(N6CCCCC6)cc45)ccc32)cc1.
What is the InChIKey of N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OEYOUMHPXUXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-3-7-19(8-4-1)17-33-24-10-9-21(13-20(24)15-30-33)31-26-22-14-25(32-11-5-2-6-12-32)27-16-23(22)28-18-29-26/h1,3-4,7-10,13-16,18H,2,5-6,11-12,17H2,(H,28,29,31).
What are the key properties of N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 435.54 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 22727449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).