3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C49H45Cl2IN12Sn — CID 159118189

IUPAC3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESC.C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncccc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncccc1I.c1cncc(-c2cc3c(cn2)[nH]c2ncccc23)c1
InChIInChI=1S/C15H11ClN4.C15H10N4.C10H6ClN2.C5H5IN2.CH4.3CH3.Sn/c16-13-9-20-14(10-3-1-5-18-8-10)7-12(13)11-4-2-6-19-15(11)17;1-3-10(8-16-5-1)13-7-12-11-4-2-6-17-15(11)19-14(12)9-18-13;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-2-1-3-8-5(4)7;;;;;/h1-9H,(H2,17,19);1-9H,(H,17,19);1-2,4-7H;1-3H,(H2,7,8);1H4;3*1H3;
InChIKeyKFIRQNGQOZPEFD-UHFFFAOYSA-N
MW1118.50 g/mol
LogP11.86
Rot. Bonds5

About 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 159118189) has the molecular formula C49H45Cl2IN12Sn and a molecular weight of 1118.50 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID159118189
Molecular FormulaC49H45Cl2IN12Sn
Molecular Weight1118.50 g/mol
Exact Mass1118.13
IUPAC Name3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESC.C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncccc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncccc1I.c1cncc(-c2cc3c(cn2)[nH]c2ncccc23)c1
InChIInChI=1S/C15H11ClN4.C15H10N4.C10H6ClN2.C5H5IN2.CH4.3CH3.Sn/c16-13-9-20-14(10-3-1-5-18-8-10)7-12(13)11-4-2-6-19-15(11)17;1-3-10(8-16-5-1)13-7-12-11-4-2-6-17-15(11)19-14(12)9-18-13;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-2-1-3-8-5(4)7;;;;;/h1-9H,(H2,17,19);1-9H,(H,17,19);1-2,4-7H;1-3H,(H2,7,8);1H4;3*1H3;
InChIKeyKFIRQNGQOZPEFD-UHFFFAOYSA-N
XLogP11.86
TPSA183.84 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.50
LogP ≤ 511.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene 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

Pexidartinib
CID 25151352
Pexidartinib Hydrochloride
CID 73053710
12-[4-(Piperidin-1-ylmethyl)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44546493
2-(2,6-dichlorophenyl)-N-pyrimidin-4-yl-1H-imidazo[4,5-c]pyridin-4-amine
CID 53476104
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 67383086
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612
N4-(2-(2,6-Dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl)-N6-methylpyrimidine-4,6-diamine
CID 67383893
6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 71222450
N-{(1s)-1-[8-Chloro-2-(2-Methylpyridin-3-Yl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 25071294
12-[4-(Piperidin-1-ylmethyl)phenyl]-4-pyrazin-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44545753
4-(6-chloro-7-(4-(1-phenylethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
CID 46868648
12-[6-(Piperidin-1-ylmethyl)-3-pyridinyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266371

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 159118189) is 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is C.C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncccc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncccc1I.c1cncc(-c2cc3c(cn2)[nH]c2ncccc23)c1.
What is the InChIKey of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is KFIRQNGQOZPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4.C15H10N4.C10H6ClN2.C5H5IN2.CH4.3CH3.Sn/c16-13-9-20-14(10-3-1-5-18-8-10)7-12(13)11-4-2-6-19-15(11)17;1-3-10(8-16-5-1)13-7-12-11-4-2-6-17-15(11)19-14(12)9-18-13;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-2-1-3-8-5(4)7;;;;;/h1-9H,(H2,17,19);1-9H,(H,17,19);1-2,4-7H;1-3H,(H2,7,8);1H4;3*1H3;.
What are the key properties of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 1118.50 g/mol, XLogP of 11.86, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;3-iodopyridin-2-amine;methane;4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 159118189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).