4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine

C20H21N7OS — CID 118684957

IUPAC4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C)CCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H21N7OS/c1-12-9-27(11-21-12)17-8-7-15(22-19(17)28-3)16-10-29-20(23-16)24-18-13-5-4-6-14(13)25-26(18)2/h7-11H,4-6H2,1-3H3,(H,23,24)
InChIKeyMAWNVWBEHNFLCH-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.67
Rot. Bonds5

About 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 118684957) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine
PubChem CID118684957
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3C)CCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H21N7OS/c1-12-9-27(11-21-12)17-8-7-15(22-19(17)28-3)16-10-29-20(23-16)24-18-13-5-4-6-14(13)25-26(18)2/h7-11H,4-6H2,1-3H3,(H,23,24)
InChIKeyMAWNVWBEHNFLCH-UHFFFAOYSA-N
XLogP3.67
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine (CID 118684957) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3C)CCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MAWNVWBEHNFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-12-9-27(11-21-12)17-8-7-15(22-19(17)28-3)16-10-29-20(23-16)24-18-13-5-4-6-14(13)25-26(18)2/h7-11H,4-6H2,1-3H3,(H,23,24).
What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine?
4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 407.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118684957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).