5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C30H29Cl2N5O — CID 137353100

IUPAC5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C30H29Cl2N5O/c1-18(2)17-38-27-6-4-5-19(3)28(27)37-29(21-7-8-25-20(13-21)9-11-33-25)23-16-36(12-10-26(23)35-37)30-24(32)14-22(31)15-34-30/h4-9,11,13-15,18,33H,10,12,16-17H2,1-3H3
InChIKeyDBOYLZLIMFJVHW-UHFFFAOYSA-N
MW546.50 g/mol
LogP7.63
Rot. Bonds6

About 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353100) has the molecular formula C30H29Cl2N5O and a molecular weight of 546.50 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353100
Molecular FormulaC30H29Cl2N5O
Molecular Weight546.50 g/mol
Exact Mass545.17
IUPAC Name5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C30H29Cl2N5O/c1-18(2)17-38-27-6-4-5-19(3)28(27)37-29(21-7-8-25-20(13-21)9-11-33-25)23-16-36(12-10-26(23)35-37)30-24(32)14-22(31)15-34-30/h4-9,11,13-15,18,33H,10,12,16-17H2,1-3H3
InChIKeyDBOYLZLIMFJVHW-UHFFFAOYSA-N
XLogP7.63
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.50
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353100) is 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(Cl)cc1Cl)CC2.
What is the InChIKey of 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is DBOYLZLIMFJVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N5O/c1-18(2)17-38-27-6-4-5-19(3)28(27)37-29(21-7-8-25-20(13-21)9-11-33-25)23-16-36(12-10-26(23)35-37)30-24(32)14-22(31)15-34-30/h4-9,11,13-15,18,33H,10,12,16-17H2,1-3H3.
What are the key properties of 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 546.50 g/mol, XLogP of 7.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).