N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine

C26H36N10O — CID 138616065

IUPACN-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
SMILESc1cc(Nc2ncc3nc4n(c3n2)C2(CCCCC2)CNN4)ncc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C26H36N10O/c1-2-8-26(9-3-1)18-29-33-25-30-21-17-28-24(32-23(21)36(25)26)31-22-5-4-20(16-27-22)34-10-6-19(7-11-34)35-12-14-37-15-13-35/h4-5,16-17,19,29H,1-3,6-15,18H2,(H,30,33)(H,27,28,31,32)
InChIKeyURYFYCGTSRQYOD-UHFFFAOYSA-N
MW504.64 g/mol
LogP2.86
Rot. Bonds4

About N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine

N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine (PubChem CID 138616065) has the molecular formula C26H36N10O and a molecular weight of 504.64 g/mol. Its IUPAC name is N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine.

Molecular Properties

Compound NameN-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
PubChem CID138616065
Molecular FormulaC26H36N10O
Molecular Weight504.64 g/mol
Exact Mass504.31
IUPAC NameN-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine
SMILESc1cc(Nc2ncc3nc4n(c3n2)C2(CCCCC2)CNN4)ncc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C26H36N10O/c1-2-8-26(9-3-1)18-29-33-25-30-21-17-28-24(32-23(21)36(25)26)31-22-5-4-20(16-27-22)34-10-6-19(7-11-34)35-12-14-37-15-13-35/h4-5,16-17,19,29H,1-3,6-15,18H2,(H,30,33)(H,27,28,31,32)
InChIKeyURYFYCGTSRQYOD-UHFFFAOYSA-N
XLogP2.86
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine?
The IUPAC name of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine (CID 138616065) is N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine.
What is the SMILES notation for N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine?
The canonical SMILES for N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine is c1cc(Nc2ncc3nc4n(c3n2)C2(CCCCC2)CNN4)ncc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine?
The InChIKey is URYFYCGTSRQYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N10O/c1-2-8-26(9-3-1)18-29-33-25-30-21-17-28-24(32-23(21)36(25)26)31-22-5-4-20(16-27-22)34-10-6-19(7-11-34)35-12-14-37-15-13-35/h4-5,16-17,19,29H,1-3,6-15,18H2,(H,30,33)(H,27,28,31,32).
What are the key properties of N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine?
N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine has a molecular weight of 504.64 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]spiro[2,3-dihydro-1H-purino[8,9-c][1,2,4]triazine-4,1'-cyclohexane]-7-amine is sourced from PubChem (CID 138616065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).