1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine

C28H22ClN11S2 — CID 90926681

IUPAC1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine
SMILESClc1ccc(N(c2nccc(-c3nccs3)n2)N(c2ccc(N3CCCC3)nc2)c2nccc(-c3nccs3)n2)cn1
InChIInChI=1S/C28H22ClN11S2/c29-23-5-3-19(17-34-23)39(27-32-9-7-21(36-27)25-30-11-15-41-25)40(20-4-6-24(35-18-20)38-13-1-2-14-38)28-33-10-8-22(37-28)26-31-12-16-42-26/h3-12,15-18H,1-2,13-14H2
InChIKeyZBRWHJDFHMGXAH-UHFFFAOYSA-N
MW612.15 g/mol
LogP6.45
Rot. Bonds8

About 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine

1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine (PubChem CID 90926681) has the molecular formula C28H22ClN11S2 and a molecular weight of 612.15 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine
PubChem CID90926681
Molecular FormulaC28H22ClN11S2
Molecular Weight612.15 g/mol
Exact Mass611.12
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine
SMILESClc1ccc(N(c2nccc(-c3nccs3)n2)N(c2ccc(N3CCCC3)nc2)c2nccc(-c3nccs3)n2)cn1
InChIInChI=1S/C28H22ClN11S2/c29-23-5-3-19(17-34-23)39(27-32-9-7-21(36-27)25-30-11-15-41-25)40(20-4-6-24(35-18-20)38-13-1-2-14-38)28-33-10-8-22(37-28)26-31-12-16-42-26/h3-12,15-18H,1-2,13-14H2
InChIKeyZBRWHJDFHMGXAH-UHFFFAOYSA-N
XLogP6.45
TPSA112.84 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500612.15
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-Pyridazin-3-ylpyrimidin-2-yl)-4-[2-[3-thiophen-2-yl-5-(1,3,5-triazin-2-yl)pyrazin-2-yl]-1,3-thiazol-4-yl]thiadiazole
CID 54304309
5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295255
5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295263
5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295291
5-[2-(2-chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-N-[5-[(4-methylpiperazin-1-yl)methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 59295358
5-[2-(2-Chlorophenyl)sulfanyl-6-methylpyrimidin-4-yl]-2-[5-(pyrrolidin-1-ylmethyl)pyrazin-2-yl]-1,3-thiazol-4-amine
CID 68428102
N,N-dimethyl-4-[2-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 68985966
N,N-dimethyl-4-[2-[[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 68989518
1,2-Bis[7-(2-chloro-4-pyridinyl)-2-methyl-[1,3]thiazolo[4,5-c]pyridin-4-yl]-1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)hydrazine
CID 90900649
1,2-Bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine
CID 91094609
1,2-Bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 91396132
2-(1-Phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole
CID 91802537

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine (CID 90926681) is 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine is Clc1ccc(N(c2nccc(-c3nccs3)n2)N(c2ccc(N3CCCC3)nc2)c2nccc(-c3nccs3)n2)cn1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZBRWHJDFHMGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN11S2/c29-23-5-3-19(17-34-23)39(27-32-9-7-21(36-27)25-30-11-15-41-25)40(20-4-6-24(35-18-20)38-13-1-2-14-38)28-33-10-8-22(37-28)26-31-12-16-42-26/h3-12,15-18H,1-2,13-14H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine?
1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 612.15 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-bis[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 90926681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).