4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

C20H23N5OS — CID 133279182

IUPAC4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCC3NNCC3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H23N5OS/c1-26-11-17-22-19(25-8-7-16-14(10-25)9-21-24-16)18-15(12-27-20(18)23-17)13-5-3-2-4-6-13/h2-6,12,14,16,21,24H,7-11H2,1H3
InChIKeyUFCAYDRIOMXRGL-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.81
Rot. Bonds4

About 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 133279182) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID133279182
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCC3NNCC3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H23N5OS/c1-26-11-17-22-19(25-8-7-16-14(10-25)9-21-24-16)18-15(12-27-20(18)23-17)13-5-3-2-4-6-13/h2-6,12,14,16,21,24H,7-11H2,1H3
InChIKeyUFCAYDRIOMXRGL-UHFFFAOYSA-N
XLogP2.81
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (CID 133279182) is 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is COCc1nc(N2CCC3NNCC3C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is UFCAYDRIOMXRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-26-11-17-22-19(25-8-7-16-14(10-25)9-21-24-16)18-15(12-27-20(18)23-17)13-5-3-2-4-6-13/h2-6,12,14,16,21,24H,7-11H2,1H3.
What are the key properties of 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 381.51 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133279182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).