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

C21H23N7OS — CID 86275159

IUPACN-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2
InChIInChI=1S/C21H23N7OS/c1-4-28-19(14-6-5-7-15(14)26-28)25-21-24-17(11-30-21)16-8-9-18(20(23-16)29-3)27-10-13(2)22-12-27/h8-12H,4-7H2,1-3H3,(H,24,25)
InChIKeyIFBOJVNFJCLRIC-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.16
Rot. Bonds6

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

N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 86275159) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID86275159
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC NameN-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2
InChIInChI=1S/C21H23N7OS/c1-4-28-19(14-6-5-7-15(14)26-28)25-21-24-17(11-30-21)16-8-9-18(20(23-16)29-3)27-10-13(2)22-12-27/h8-12H,4-7H2,1-3H3,(H,24,25)
InChIKeyIFBOJVNFJCLRIC-UHFFFAOYSA-N
XLogP4.16
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 86275159) is N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2.
What is the InChIKey of N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is IFBOJVNFJCLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-4-28-19(14-6-5-7-15(14)26-28)25-21-24-17(11-30-21)16-8-9-18(20(23-16)29-3)27-10-13(2)22-12-27/h8-12H,4-7H2,1-3H3,(H,24,25).
What are the key properties of N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 421.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86275159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).