(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H20N6 — CID 95402726

IUPAC(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCn1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N6/c1-26-11-16(19(25-26)12-5-3-2-4-6-12)18-14-9-13(22)7-8-17(14)24-20(23)15(18)10-21/h2-6,11,13H,7-9,22H2,1H3,(H2,23,24)/t13-/m1/s1
InChIKeyFWOKQFANCGAJPR-CYBMUJFWSA-N
MW344.42 g/mol
LogP2.42
Rot. Bonds2

About (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 95402726) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID95402726
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCn1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N6/c1-26-11-16(19(25-26)12-5-3-2-4-6-12)18-14-9-13(22)7-8-17(14)24-20(23)15(18)10-21/h2-6,11,13H,7-9,22H2,1H3,(H2,23,24)/t13-/m1/s1
InChIKeyFWOKQFANCGAJPR-CYBMUJFWSA-N
XLogP2.42
TPSA106.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diamino-4-(4-chloro-1-methylindazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56877753
acetic acid;2,6-diamino-4-(6-chloro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 171709057
(6S)-2,6-diamino-4-[1-(2-methoxyphenyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95557470
(6S)-2,6-diamino-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95502462
(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95477034
2,6-diamino-4-(2,1,3-benzothiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56861076
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255832
2-amino-4-(2-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3293332
(6S)-2,6-diamino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95400703
2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277774
2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285279

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 95402726) is (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cn1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c(-c2ccccc2)n1.
What is the InChIKey of (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is FWOKQFANCGAJPR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N6/c1-26-11-16(19(25-26)12-5-3-2-4-6-12)18-14-9-13(22)7-8-17(14)24-20(23)15(18)10-21/h2-6,11,13H,7-9,22H2,1H3,(H2,23,24)/t13-/m1/s1.
What are the key properties of (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 95402726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).