(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide

C24H24N8O2S — CID 126700009

IUPAC(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide
SMILESCC[C@H](C(N)=O)n1cc(-c2cc3c4c(c2)nc(-c2ccc5nc(N)sc5n2)n4CCCCO3)cn1
InChIInChI=1S/C24H24N8O2S/c1-2-18(21(25)33)32-12-14(11-27-32)13-9-17-20-19(10-13)34-8-4-3-7-31(20)22(28-17)15-5-6-16-23(29-15)35-24(26)30-16/h5-6,9-12,18H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,30)/t18-/m1/s1
InChIKeyWUHRUVRFMAVOHR-GOSISDBHSA-N
MW488.58 g/mol
LogP3.76
Rot. Bonds5

About (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide

(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide (PubChem CID 126700009) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide
PubChem CID126700009
Molecular FormulaC24H24N8O2S
Molecular Weight488.58 g/mol
Exact Mass488.17
IUPAC Name(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide
SMILESCC[C@H](C(N)=O)n1cc(-c2cc3c4c(c2)nc(-c2ccc5nc(N)sc5n2)n4CCCCO3)cn1
InChIInChI=1S/C24H24N8O2S/c1-2-18(21(25)33)32-12-14(11-27-32)13-9-17-20-19(10-13)34-8-4-3-7-31(20)22(28-17)15-5-6-16-23(29-15)35-24(26)30-16/h5-6,9-12,18H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,30)/t18-/m1/s1
InChIKeyWUHRUVRFMAVOHR-GOSISDBHSA-N
XLogP3.76
TPSA139.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide?
The IUPAC name of (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide (CID 126700009) is (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide.
What is the SMILES notation for (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide?
The canonical SMILES for (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide is CC[C@H](C(N)=O)n1cc(-c2cc3c4c(c2)nc(-c2ccc5nc(N)sc5n2)n4CCCCO3)cn1.
What is the InChIKey of (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide?
The InChIKey is WUHRUVRFMAVOHR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N8O2S/c1-2-18(21(25)33)32-12-14(11-27-32)13-9-17-20-19(10-13)34-8-4-3-7-31(20)22(28-17)15-5-6-16-23(29-15)35-24(26)30-16/h5-6,9-12,18H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,30)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide?
(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide has a molecular weight of 488.58 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide is sourced from PubChem (CID 126700009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).