4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C25H21N7O2S — CID 170700309

IUPAC4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(c1ncccn1)N(Cc1nc2cnccc2s1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C25H21N7O2S/c1-14(24-28-6-2-7-29-24)32(11-22-30-20-10-27-8-5-21(20)35-22)25(33)15-3-4-19-16(9-15)17-12-34-13-18(17)23(26)31-19/h2-10,14H,11-13H2,1H3,(H2,26,31)
InChIKeyCXQVTOXYGDGQCY-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.05
Rot. Bonds5

About 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 170700309) has the molecular formula C25H21N7O2S and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID170700309
Molecular FormulaC25H21N7O2S
Molecular Weight483.56 g/mol
Exact Mass483.15
IUPAC Name4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCC(c1ncccn1)N(Cc1nc2cnccc2s1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C25H21N7O2S/c1-14(24-28-6-2-7-29-24)32(11-22-30-20-10-27-8-5-21(20)35-22)25(33)15-3-4-19-16(9-15)17-12-34-13-18(17)23(26)31-19/h2-10,14H,11-13H2,1H3,(H2,26,31)
InChIKeyCXQVTOXYGDGQCY-UHFFFAOYSA-N
XLogP4.05
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 170700309) is 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CC(c1ncccn1)N(Cc1nc2cnccc2s1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.
What is the InChIKey of 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is CXQVTOXYGDGQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2S/c1-14(24-28-6-2-7-29-24)32(11-22-30-20-10-27-8-5-21(20)35-22)25(33)15-3-4-19-16(9-15)17-12-34-13-18(17)23(26)31-19/h2-10,14H,11-13H2,1H3,(H2,26,31).
What are the key properties of 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-pyrimidin-2-ylethyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 170700309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).