N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide

C24H28N6O4S2 — CID 166919061

IUPACN-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(OCC3CC3)cc(S(C)(=O)=O)n2)c(-c2nc3c(s2)CN(C)CC3)cn1
InChIInChI=1S/C24H28N6O4S2/c1-14(31)26-21-10-19(17(11-25-21)24-28-18-6-7-30(2)12-20(18)35-24)27-22-8-16(34-13-15-4-5-15)9-23(29-22)36(3,32)33/h8-11,15H,4-7,12-13H2,1-3H3,(H2,25,26,27,29,31)
InChIKeyTVJSQNBOSUNVEN-UHFFFAOYSA-N
MW528.66 g/mol
LogP3.48
Rot. Bonds8

About N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide

N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 166919061) has the molecular formula C24H28N6O4S2 and a molecular weight of 528.66 g/mol. Its IUPAC name is N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide
PubChem CID166919061
Molecular FormulaC24H28N6O4S2
Molecular Weight528.66 g/mol
Exact Mass528.16
IUPAC NameN-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(OCC3CC3)cc(S(C)(=O)=O)n2)c(-c2nc3c(s2)CN(C)CC3)cn1
InChIInChI=1S/C24H28N6O4S2/c1-14(31)26-21-10-19(17(11-25-21)24-28-18-6-7-30(2)12-20(18)35-24)27-22-8-16(34-13-15-4-5-15)9-23(29-22)36(3,32)33/h8-11,15H,4-7,12-13H2,1-3H3,(H2,25,26,27,29,31)
InChIKeyTVJSQNBOSUNVEN-UHFFFAOYSA-N
XLogP3.48
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.66
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide (CID 166919061) is N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(OCC3CC3)cc(S(C)(=O)=O)n2)c(-c2nc3c(s2)CN(C)CC3)cn1.
What is the InChIKey of N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is TVJSQNBOSUNVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S2/c1-14(31)26-21-10-19(17(11-25-21)24-28-18-6-7-30(2)12-20(18)35-24)27-22-8-16(34-13-15-4-5-15)9-23(29-22)36(3,32)33/h8-11,15H,4-7,12-13H2,1-3H3,(H2,25,26,27,29,31).
What are the key properties of N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide?
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 528.66 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166919061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).