1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol

C23H27N7O2S — CID 155085089

IUPAC1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol
SMILESCOc1nc(-c2csc(N3CC(O)Cn4nc5c(c43)CCCC5)n2)ccc1N1C=NC(C)C1
InChIInChI=1S/C23H27N7O2S/c1-14-9-28(13-24-14)20-8-7-18(25-21(20)32-2)19-12-33-23(26-19)29-10-15(31)11-30-22(29)16-5-3-4-6-17(16)27-30/h7-8,12-15,31H,3-6,9-11H2,1-2H3
InChIKeyJKMXMOMUUJWDJN-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol

1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol (PubChem CID 155085089) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol.

Molecular Properties

Compound Name1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol
PubChem CID155085089
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC Name1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol
SMILESCOc1nc(-c2csc(N3CC(O)Cn4nc5c(c43)CCCC5)n2)ccc1N1C=NC(C)C1
InChIInChI=1S/C23H27N7O2S/c1-14-9-28(13-24-14)20-8-7-18(25-21(20)32-2)19-12-33-23(26-19)29-10-15(31)11-30-22(29)16-5-3-4-6-17(16)27-30/h7-8,12-15,31H,3-6,9-11H2,1-2H3
InChIKeyJKMXMOMUUJWDJN-UHFFFAOYSA-N
XLogP3.04
TPSA91.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol?
The IUPAC name of 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol (CID 155085089) is 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol.
What is the SMILES notation for 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol?
The canonical SMILES for 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol is COc1nc(-c2csc(N3CC(O)Cn4nc5c(c43)CCCC5)n2)ccc1N1C=NC(C)C1.
What is the InChIKey of 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol?
The InChIKey is JKMXMOMUUJWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-14-9-28(13-24-14)20-8-7-18(25-21(20)32-2)19-12-33-23(26-19)29-10-15(31)11-30-22(29)16-5-3-4-6-17(16)27-30/h7-8,12-15,31H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol?
1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol has a molecular weight of 465.58 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-methoxy-5-(4-methyl-4,5-dihydroimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-3-ol is sourced from PubChem (CID 155085089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).