N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C26H26N6O2S — CID 118139535

IUPACN-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCn1cc(Nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3cc4c(s3)CCOC4)n2)cn1
InChIInChI=1S/C26H26N6O2S/c1-32-14-19(13-28-32)29-26-27-9-7-21(31-26)17-5-6-20-16(11-17)3-2-4-22(20)30-25(33)24-12-18-15-34-10-8-23(18)35-24/h5-7,9,11-14,22H,2-4,8,10,15H2,1H3,(H,30,33)(H,27,29,31)
InChIKeyGDMLDYOFEJMVHI-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.56
Rot. Bonds5

About N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118139535) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID118139535
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCn1cc(Nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3cc4c(s3)CCOC4)n2)cn1
InChIInChI=1S/C26H26N6O2S/c1-32-14-19(13-28-32)29-26-27-9-7-21(31-26)17-5-6-20-16(11-17)3-2-4-22(20)30-25(33)24-12-18-15-34-10-8-23(18)35-24/h5-7,9,11-14,22H,2-4,8,10,15H2,1H3,(H,30,33)(H,27,29,31)
InChIKeyGDMLDYOFEJMVHI-UHFFFAOYSA-N
XLogP4.56
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118139535) is N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cn1cc(Nc2nccc(-c3ccc4c(c3)CCCC4NC(=O)c3cc4c(s3)CCOC4)n2)cn1.
What is the InChIKey of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is GDMLDYOFEJMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-32-14-19(13-28-32)29-26-27-9-7-21(31-26)17-5-6-20-16(11-17)3-2-4-22(20)30-25(33)24-12-18-15-34-10-8-23(18)35-24/h5-7,9,11-14,22H,2-4,8,10,15H2,1H3,(H,30,33)(H,27,29,31).
What are the key properties of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 118139535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).