N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C23H27N7O2S — CID 86275158

IUPACN-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C23H27N7O2S/c1-15-12-29(14-24-15)20-9-8-18(25-22(20)32-3)19-13-33-23(26-19)27-21-16-6-4-5-7-17(16)28-30(21)10-11-31-2/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27)
InChIKeyLWILKIIYWUKZFM-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.17
Rot. Bonds8

About N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 86275158) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID86275158
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC NameN-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C23H27N7O2S/c1-15-12-29(14-24-15)20-9-8-18(25-22(20)32-3)19-13-33-23(26-19)27-21-16-6-4-5-7-17(16)28-30(21)10-11-31-2/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27)
InChIKeyLWILKIIYWUKZFM-UHFFFAOYSA-N
XLogP4.17
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 86275158) is N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-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-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is COCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2.
What is the InChIKey of N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is LWILKIIYWUKZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-15-12-29(14-24-15)20-9-8-18(25-22(20)32-3)19-13-33-23(26-19)27-21-16-6-4-5-7-17(16)28-30(21)10-11-31-2/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27).
What are the key properties of N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 465.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86275158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).