1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone

C21H25N7O3 — CID 138516090

IUPAC1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C21H25N7O3/c29-19(14-26-7-10-30-11-8-26)27-5-3-16(4-6-27)18-13-23-21(28-15-24-25-20(18)28)22-12-17-2-1-9-31-17/h1-3,9,13,15H,4-8,10-12,14H2,(H,22,23)
InChIKeySZPXKWROUQQWPI-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.28
Rot. Bonds6

About 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone

1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 138516090) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone
PubChem CID138516090
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C21H25N7O3/c29-19(14-26-7-10-30-11-8-26)27-5-3-16(4-6-27)18-13-23-21(28-15-24-25-20(18)28)22-12-17-2-1-9-31-17/h1-3,9,13,15H,4-8,10-12,14H2,(H,22,23)
InChIKeySZPXKWROUQQWPI-UHFFFAOYSA-N
XLogP1.28
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone (CID 138516090) is 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1.
What is the InChIKey of 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is SZPXKWROUQQWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c29-19(14-26-7-10-30-11-8-26)27-5-3-16(4-6-27)18-13-23-21(28-15-24-25-20(18)28)22-12-17-2-1-9-31-17/h1-3,9,13,15H,4-8,10-12,14H2,(H,22,23).
What are the key properties of 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 423.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 138516090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).