1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

C25H18N6O2S — CID 145247641

IUPAC1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(C4=NCNc5cnc(-c6cncc(O)c6)cc54)cc23)s1
InChIInChI=1S/C25H18N6O2S/c1-13(32)22-2-3-23(34-22)25-16-8-20(31-18(16)4-5-27-25)24-17-7-19(14-6-15(33)10-26-9-14)28-11-21(17)29-12-30-24/h2-11,29,31,33H,12H2,1H3
InChIKeyYDZISUURRBQKKV-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.88
Rot. Bonds4

About 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 145247641) has the molecular formula C25H18N6O2S and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
PubChem CID145247641
Molecular FormulaC25H18N6O2S
Molecular Weight466.53 g/mol
Exact Mass466.12
IUPAC Name1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(C4=NCNc5cnc(-c6cncc(O)c6)cc54)cc23)s1
InChIInChI=1S/C25H18N6O2S/c1-13(32)22-2-3-23(34-22)25-16-8-20(31-18(16)4-5-27-25)24-17-7-19(14-6-15(33)10-26-9-14)28-11-21(17)29-12-30-24/h2-11,29,31,33H,12H2,1H3
InChIKeyYDZISUURRBQKKV-UHFFFAOYSA-N
XLogP4.88
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

1-[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137280478
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137033923
1-[5-[2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137280364
1-[5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1a,7b-dihydro-1H-azirino[2,3-h][1,6]naphthyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 145248421
1-[5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136943159
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137103241
1-[5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137311198
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137039278
1-[5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137039950
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102745
1-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137313030
1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone
CID 137113311

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 145247641) is 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nccc3[nH]c(C4=NCNc5cnc(-c6cncc(O)c6)cc54)cc23)s1.
What is the InChIKey of 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is YDZISUURRBQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2S/c1-13(32)22-2-3-23(34-22)25-16-8-20(31-18(16)4-5-27-25)24-17-7-19(14-6-15(33)10-26-9-14)28-11-21(17)29-12-30-24/h2-11,29,31,33H,12H2,1H3.
What are the key properties of 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 466.53 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[6-(5-hydroxy-3-pyridinyl)-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 145247641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).