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

C23H27N7OS — CID 86275399

IUPACN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1N(C)c1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C23H27N7OS/c1-5-30-22(16-8-6-7-9-17(16)27-30)28(3)23-26-19(13-32-23)18-10-11-20(21(25-18)31-4)29-12-15(2)24-14-29/h10-14H,5-9H2,1-4H3
InChIKeyPPYITMQZBFIIGX-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.57
Rot. Bonds6

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

N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 86275399) has the molecular formula C23H27N7OS and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID86275399
Molecular FormulaC23H27N7OS
Molecular Weight449.58 g/mol
Exact Mass449.20
IUPAC NameN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1N(C)c1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2
InChIInChI=1S/C23H27N7OS/c1-5-30-22(16-8-6-7-9-17(16)27-30)28(3)23-26-19(13-32-23)18-10-11-20(21(25-18)31-4)29-12-15(2)24-14-29/h10-14H,5-9H2,1-4H3
InChIKeyPPYITMQZBFIIGX-UHFFFAOYSA-N
XLogP4.57
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine (CID 86275399) is N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine is CCn1nc2c(c1N(C)c1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCCC2.
What is the InChIKey of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is PPYITMQZBFIIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7OS/c1-5-30-22(16-8-6-7-9-17(16)27-30)28(3)23-26-19(13-32-23)18-10-11-20(21(25-18)31-4)29-12-15(2)24-14-29/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 449.58 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86275399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).