1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile

C20H20N6 — CID 123237042

IUPAC1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile
SMILESCc1nc2cccc(-c3cc4c([nH]3)CCNC4)c2nc1NC1(C#N)CC1
InChIInChI=1S/C20H20N6/c1-12-19(26-20(11-21)6-7-20)25-18-14(3-2-4-16(18)23-12)17-9-13-10-22-8-5-15(13)24-17/h2-4,9,22,24H,5-8,10H2,1H3,(H,25,26)
InChIKeyFNZKBSLGNMDGOQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.05
Rot. Bonds3

About 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile

1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile (PubChem CID 123237042) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile
PubChem CID123237042
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile
SMILESCc1nc2cccc(-c3cc4c([nH]3)CCNC4)c2nc1NC1(C#N)CC1
InChIInChI=1S/C20H20N6/c1-12-19(26-20(11-21)6-7-20)25-18-14(3-2-4-16(18)23-12)17-9-13-10-22-8-5-15(13)24-17/h2-4,9,22,24H,5-8,10H2,1H3,(H,25,26)
InChIKeyFNZKBSLGNMDGOQ-UHFFFAOYSA-N
XLogP3.05
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile (CID 123237042) is 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile is Cc1nc2cccc(-c3cc4c([nH]3)CCNC4)c2nc1NC1(C#N)CC1.
What is the InChIKey of 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile?
The InChIKey is FNZKBSLGNMDGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12-19(26-20(11-21)6-7-20)25-18-14(3-2-4-16(18)23-12)17-9-13-10-22-8-5-15(13)24-17/h2-4,9,22,24H,5-8,10H2,1H3,(H,25,26).
What are the key properties of 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile?
1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-8-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 123237042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).