1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol

C22H24N8O2 — CID 86707102

IUPAC1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
SMILESCOc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCNCC(O)C1
InChIInChI=1S/C22H24N8O2/c1-14-8-24-12-18(27-14)17-7-19-15(9-25-17)10-26-30(19)21-4-3-20(32-2)22(28-21)29-6-5-23-11-16(31)13-29/h3-4,7-10,12,16,23,31H,5-6,11,13H2,1-2H3
InChIKeyVBLIOVPAIOHWTR-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.36
Rot. Bonds4

About 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol

1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (PubChem CID 86707102) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
PubChem CID86707102
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
SMILESCOc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCNCC(O)C1
InChIInChI=1S/C22H24N8O2/c1-14-8-24-12-18(27-14)17-7-19-15(9-25-17)10-26-30(19)21-4-3-20(32-2)22(28-21)29-6-5-23-11-16(31)13-29/h3-4,7-10,12,16,23,31H,5-6,11,13H2,1-2H3
InChIKeyVBLIOVPAIOHWTR-UHFFFAOYSA-N
XLogP1.36
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol with MolForge

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Related Compounds

(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
8-(3-Pyridin-3-yloxyazetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53323196
(2S)-1-[[4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 57856282
3-(5-Butoxy-3-pyridinyl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 118736444
5-[[4-(Methylamino)-5-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
CID 134508319
7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 57691231
1-(6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)-1,4-diazepan-6-ol
CID 72714477
(6R)-1-[3-methoxy-6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]-1,4-diazepan-6-ol
CID 72714578
1-[3-Methoxy-6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]-1,4-diazepan-6-ol
CID 72714579
6-(6-Phenylmethoxypyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 72714861
1-[6-[1-(6-Piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol
CID 72714948
1-[6-[6-(6-Ethylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
CID 72715539

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The IUPAC name of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol (CID 86707102) is 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol.
What is the SMILES notation for 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The canonical SMILES for 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is COc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCNCC(O)C1.
What is the InChIKey of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
The InChIKey is VBLIOVPAIOHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-14-8-24-12-18(27-14)17-7-19-15(9-25-17)10-26-30(19)21-4-3-20(32-2)22(28-21)29-6-5-23-11-16(31)13-29/h3-4,7-10,12,16,23,31H,5-6,11,13H2,1-2H3.
What are the key properties of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol?
1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol has a molecular weight of 432.49 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 86707102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).