CID 178159103

C20H24KN6S — CID 178159103

IUPAC—
SMILESCC.Cc1snc2ccc(-c3cc([C@H]4C[C@@H]4c4cnn(C)c4)nn3C)nc12.[K]
InChIInChI=1S/C18H18N6S.C2H6.K/c1-10-18-15(22-25-10)5-4-14(20-18)17-7-16(21-24(17)3)13-6-12(13)11-8-19-23(2)9-11;1-2;/h4-5,7-9,12-13H,6H2,1-3H3;1-2H3;/t12-,13+;;/m1../s1
InChIKeyPCKKGTZGUIJFJP-VAALMUBNSA-N
MW419.62 g/mol
LogP4.05
Rot. Bonds3

About CID 178159103

CID 178159103 (PubChem CID 178159103) has the molecular formula C20H24KN6S and a molecular weight of 419.62 g/mol.

Molecular Properties

Compound NameCID 178159103
PubChem CID178159103
Molecular FormulaC20H24KN6S
Molecular Weight419.62 g/mol
Exact Mass419.14
IUPAC Name—
SMILESCC.Cc1snc2ccc(-c3cc([C@H]4C[C@@H]4c4cnn(C)c4)nn3C)nc12.[K]
InChIInChI=1S/C18H18N6S.C2H6.K/c1-10-18-15(22-25-10)5-4-14(20-18)17-7-16(21-24(17)3)13-6-12(13)11-8-19-23(2)9-11;1-2;/h4-5,7-9,12-13H,6H2,1-3H3;1-2H3;/t12-,13+;;/m1../s1
InChIKeyPCKKGTZGUIJFJP-VAALMUBNSA-N
XLogP4.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze CID 178159103 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

7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178158314
6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178158842
2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
CID 178159075
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
2-(1-methylpyrazol-4-yl)-N-propan-2-ylcyclopropan-1-amine
CID 146260881
(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide
CID 178158762
5-[(1S,2S)-2-[5-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-methylpyrazol-3-yl]cyclopropyl]-2-methyl-1,3-thiazole
CID 178158789
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine
CID 81014075
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178159098

Frequently Asked Questions

What is the IUPAC name of CID 178159103?
The IUPAC name of CID 178159103 (CID 178159103) is not available.
What is the SMILES notation for CID 178159103?
The canonical SMILES for CID 178159103 is CC.Cc1snc2ccc(-c3cc([C@H]4C[C@@H]4c4cnn(C)c4)nn3C)nc12.[K].
What is the InChIKey of CID 178159103?
The InChIKey is PCKKGTZGUIJFJP-VAALMUBNSA-N. The full InChI is InChI=1S/C18H18N6S.C2H6.K/c1-10-18-15(22-25-10)5-4-14(20-18)17-7-16(21-24(17)3)13-6-12(13)11-8-19-23(2)9-11;1-2;/h4-5,7-9,12-13H,6H2,1-3H3;1-2H3;/t12-,13+;;/m1../s1.
What are the key properties of CID 178159103?
CID 178159103 has a molecular weight of 419.62 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178159103 is sourced from PubChem (CID 178159103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).