ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol

C23H35N7O2 — CID 177242887

IUPACethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
SMILESCC.CN1CC(O)CCC(Cc2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)C1
InChIInChI=1S/C21H29N7O2.C2H6/c1-26-13-15(2-3-17(29)14-26)10-16-11-20(27-6-8-30-9-7-27)24-21-18(16)12-23-28(21)19-4-5-22-25-19;1-2/h4-5,11-12,15,17,29H,2-3,6-10,13-14H2,1H3,(H,22,25);1-2H3
InChIKeyNXFRKZARSVZEPU-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.25
Rot. Bonds4

About ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol

ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol (PubChem CID 177242887) has the molecular formula C23H35N7O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol.

Molecular Properties

Compound Nameethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
PubChem CID177242887
Molecular FormulaC23H35N7O2
Molecular Weight441.58 g/mol
Exact Mass441.29
IUPAC Nameethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
SMILESCC.CN1CC(O)CCC(Cc2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)C1
InChIInChI=1S/C21H29N7O2.C2H6/c1-26-13-15(2-3-17(29)14-26)10-16-11-20(27-6-8-30-9-7-27)24-21-18(16)12-23-28(21)19-4-5-22-25-19;1-2/h4-5,11-12,15,17,29H,2-3,6-10,13-14H2,1H3,(H,22,25);1-2H3
InChIKeyNXFRKZARSVZEPU-UHFFFAOYSA-N
XLogP2.25
TPSA95.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?
The IUPAC name of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol (CID 177242887) is ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol.
What is the SMILES notation for ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?
The canonical SMILES for ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol is CC.CN1CC(O)CCC(Cc2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)C1.
What is the InChIKey of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?
The InChIKey is NXFRKZARSVZEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2.C2H6/c1-26-13-15(2-3-17(29)14-26)10-16-11-20(27-6-8-30-9-7-27)24-21-18(16)12-23-28(21)19-4-5-22-25-19;1-2/h4-5,11-12,15,17,29H,2-3,6-10,13-14H2,1H3,(H,22,25);1-2H3.
What are the key properties of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?
ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol has a molecular weight of 441.58 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol is sourced from PubChem (CID 177242887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).