4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine

C47H37ClN28 — CID 159833380

IUPAC4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine
SMILESClc1cc(-n2cccn2)ncn1.c1cn(-c2cc(-n3ccnc3)ncn2)cn1.c1cn(-c2ccnc(-n3ccnc3)n2)cn1.c1cnn(-c2cc(-n3cccn3)ncn2)c1.c1cnn(-c2ccnc(-n3cccn3)n2)c1
InChIInChI=1S/4C10H8N6.C7H5ClN4/c1-4-12-15(7-1)9-3-6-11-10(14-9)16-8-2-5-13-16;1-3-15(7-11-1)9-5-10(14-6-13-9)16-4-2-12-8-16;1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16;1-2-13-10(16-6-4-12-8-16)14-9(1)15-5-3-11-7-15;8-6-4-7(10-5-9-6)12-3-1-2-11-12/h4*1-8H;1-5H
InChIKeyNNSVPSHGALYRGV-UHFFFAOYSA-N
MW1029.46 g/mol
LogP4.71
Rot. Bonds9

About 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine

4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine (PubChem CID 159833380) has the molecular formula C47H37ClN28 and a molecular weight of 1029.46 g/mol. Its IUPAC name is 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine
PubChem CID159833380
Molecular FormulaC47H37ClN28
Molecular Weight1029.46 g/mol
Exact Mass1028.34
IUPAC Name4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine
SMILESClc1cc(-n2cccn2)ncn1.c1cn(-c2cc(-n3ccnc3)ncn2)cn1.c1cn(-c2ccnc(-n3ccnc3)n2)cn1.c1cnn(-c2cc(-n3cccn3)ncn2)c1.c1cnn(-c2ccnc(-n3cccn3)n2)c1
InChIInChI=1S/4C10H8N6.C7H5ClN4/c1-4-12-15(7-1)9-3-6-11-10(14-9)16-8-2-5-13-16;1-3-15(7-11-1)9-5-10(14-6-13-9)16-4-2-12-8-16;1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16;1-2-13-10(16-6-4-12-8-16)14-9(1)15-5-3-11-7-15;8-6-4-7(10-5-9-6)12-3-1-2-11-12/h4*1-8H;1-5H
InChIKeyNNSVPSHGALYRGV-UHFFFAOYSA-N
XLogP4.71
TPSA289.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
CID 3071752
(1R)-5,7-dichloro-1-methyl-2-(4-pyrazol-1-ylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 97024933
1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane
CID 22488899
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739
2-(6-pyrazol-1-ylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932901
4-[6-(3-chlorophenyl)hexyl]-2-imidazol-1-ylpyrimidine
CID 147969394
N-(6-imidazol-1-ylpyrimidin-4-yl)thiophene-2-sulfonamide
CID 121135238
4-(furan-3-yl)-1-N-(6-imidazol-1-ylpyrimidin-4-yl)benzene-1,2-diamine
CID 54493098
2-pyrazol-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
CID 175006544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine (CID 159833380) is 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine is Clc1cc(-n2cccn2)ncn1.c1cn(-c2cc(-n3ccnc3)ncn2)cn1.c1cn(-c2ccnc(-n3ccnc3)n2)cn1.c1cnn(-c2cc(-n3cccn3)ncn2)c1.c1cnn(-c2ccnc(-n3cccn3)n2)c1.
What is the InChIKey of 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine?
The InChIKey is NNSVPSHGALYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N6.C7H5ClN4/c1-4-12-15(7-1)9-3-6-11-10(14-9)16-8-2-5-13-16;1-3-15(7-11-1)9-5-10(14-6-13-9)16-4-2-12-8-16;1-3-13-15(5-1)9-7-10(12-8-11-9)16-6-2-4-14-16;1-2-13-10(16-6-4-12-8-16)14-9(1)15-5-3-11-7-15;8-6-4-7(10-5-9-6)12-3-1-2-11-12/h4*1-8H;1-5H.
What are the key properties of 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine?
4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine has a molecular weight of 1029.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrazol-1-ylpyrimidine;2,4-di(imidazol-1-yl)pyrimidine;4,6-di(imidazol-1-yl)pyrimidine;2,4-di(pyrazol-1-yl)pyrimidine;4,6-di(pyrazol-1-yl)pyrimidine is sourced from PubChem (CID 159833380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).