7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine

C42H45Cl2N17 — CID 69327722

IUPAC7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cnn(CCN4CCCCC4)c3)cc2n1.Cc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)cc2n1
InChIInChI=1S/C21H18Cl2N8.C21H27N9/c1-12-5-19(29-28-12)27-21-26-18(7-20-25-13(2)9-31(20)21)15-8-24-30(11-15)10-14-6-16(22)3-4-17(14)23;1-15-10-19(27-26-15)25-21-24-18(11-20-23-16(2)13-30(20)21)17-12-22-29(14-17)9-8-28-6-4-3-5-7-28/h3-9,11H,10H2,1-2H3,(H2,26,27,28,29);10-14H,3-9H2,1-2H3,(H2,24,25,26,27)
InChIKeyNYDAKQFMNLJYAG-UHFFFAOYSA-N
MW858.85 g/mol
LogP8.19
Rot. Bonds11

About 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine

7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 69327722) has the molecular formula C42H45Cl2N17 and a molecular weight of 858.85 g/mol. Its IUPAC name is 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID69327722
Molecular FormulaC42H45Cl2N17
Molecular Weight858.85 g/mol
Exact Mass857.34
IUPAC Name7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cnn(CCN4CCCCC4)c3)cc2n1.Cc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)cc2n1
InChIInChI=1S/C21H18Cl2N8.C21H27N9/c1-12-5-19(29-28-12)27-21-26-18(7-20-25-13(2)9-31(20)21)15-8-24-30(11-15)10-14-6-16(22)3-4-17(14)23;1-15-10-19(27-26-15)25-21-24-18(11-20-23-16(2)13-30(20)21)17-12-22-29(14-17)9-8-28-6-4-3-5-7-28/h3-9,11H,10H2,1-2H3,(H2,26,27,28,29);10-14H,3-9H2,1-2H3,(H2,24,25,26,27)
InChIKeyNYDAKQFMNLJYAG-UHFFFAOYSA-N
XLogP8.19
TPSA180.68 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500858.85
LogP ≤ 58.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Related Compounds

CID 62706154
CID 62706154
CID 62706155
CID 62706155
CID 62706156
CID 62706156
CID 62706312
CID 62706312
CID 62706314
CID 62706314
CID 62706316
CID 62706316
CID 136963109
CID 136963109
CID 137631497
CID 137631497
CID 71526078
CID 71526078
CID 71526443
CID 71526443
CID 139344301
CID 139344301
CID 91820697
CID 91820697

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine (CID 69327722) is 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cnn(CCN4CCCCC4)c3)cc2n1.Cc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)cc2n1.
What is the InChIKey of 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is NYDAKQFMNLJYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N8.C21H27N9/c1-12-5-19(29-28-12)27-21-26-18(7-20-25-13(2)9-31(20)21)15-8-24-30(11-15)10-14-6-16(22)3-4-17(14)23;1-15-10-19(27-26-15)25-21-24-18(11-20-23-16(2)13-30(20)21)17-12-22-29(14-17)9-8-28-6-4-3-5-7-28/h3-9,11H,10H2,1-2H3,(H2,26,27,28,29);10-14H,3-9H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?
7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 858.85 g/mol, XLogP of 8.19, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 69327722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).