7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile

C20H17N7O — CID 172702526

IUPAC7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
SMILESCc1cc2cnn(-c3cnn(C)c3)c2cc1OC1CCc2nc(C#N)cnc21
InChIInChI=1S/C20H17N7O/c1-12-5-13-8-24-27(15-10-23-26(2)11-15)17(13)6-19(12)28-18-4-3-16-20(18)22-9-14(7-21)25-16/h5-6,8-11,18H,3-4H2,1-2H3
InChIKeyDDPXZJQJLWULRP-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.80
Rot. Bonds3

About 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile

7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile (PubChem CID 172702526) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
PubChem CID172702526
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
SMILESCc1cc2cnn(-c3cnn(C)c3)c2cc1OC1CCc2nc(C#N)cnc21
InChIInChI=1S/C20H17N7O/c1-12-5-13-8-24-27(15-10-23-26(2)11-15)17(13)6-19(12)28-18-4-3-16-20(18)22-9-14(7-21)25-16/h5-6,8-11,18H,3-4H2,1-2H3
InChIKeyDDPXZJQJLWULRP-UHFFFAOYSA-N
XLogP2.80
TPSA94.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
The IUPAC name of 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile (CID 172702526) is 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile.
What is the SMILES notation for 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
The canonical SMILES for 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile is Cc1cc2cnn(-c3cnn(C)c3)c2cc1OC1CCc2nc(C#N)cnc21.
What is the InChIKey of 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
The InChIKey is DDPXZJQJLWULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-12-5-13-8-24-27(15-10-23-26(2)11-15)17(13)6-19(12)28-18-4-3-16-20(18)22-9-14(7-21)25-16/h5-6,8-11,18H,3-4H2,1-2H3.
What are the key properties of 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile is sourced from PubChem (CID 172702526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).