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

C28H26N6O2S — CID 118138990

IUPACN-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCn1cc(-c2cc3c(-c4ccc5c(c4)CCCC5NC(=O)c4cc5c(s4)CCOC5)ncnc3[nH]2)cn1
InChIInChI=1S/C28H26N6O2S/c1-34-13-19(12-31-34)23-11-21-26(29-15-30-27(21)32-23)17-5-6-20-16(9-17)3-2-4-22(20)33-28(35)25-10-18-14-36-8-7-24(18)37-25/h5-6,9-13,15,22H,2-4,7-8,14H2,1H3,(H,33,35)(H,29,30,32)
InChIKeyGTQIQWFSUVPVHL-UHFFFAOYSA-N
MW510.62 g/mol
LogP4.97
Rot. Bonds4

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

N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118138990) has the molecular formula C28H26N6O2S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID118138990
Molecular FormulaC28H26N6O2S
Molecular Weight510.62 g/mol
Exact Mass510.18
IUPAC NameN-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCn1cc(-c2cc3c(-c4ccc5c(c4)CCCC5NC(=O)c4cc5c(s4)CCOC5)ncnc3[nH]2)cn1
InChIInChI=1S/C28H26N6O2S/c1-34-13-19(12-31-34)23-11-21-26(29-15-30-27(21)32-23)17-5-6-20-16(9-17)3-2-4-22(20)33-28(35)25-10-18-14-36-8-7-24(18)37-25/h5-6,9-13,15,22H,2-4,7-8,14H2,1H3,(H,33,35)(H,29,30,32)
InChIKeyGTQIQWFSUVPVHL-UHFFFAOYSA-N
XLogP4.97
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118138990) is N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cn1cc(-c2cc3c(-c4ccc5c(c4)CCCC5NC(=O)c4cc5c(s4)CCOC5)ncnc3[nH]2)cn1.
What is the InChIKey of N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is GTQIQWFSUVPVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2S/c1-34-13-19(12-31-34)23-11-21-26(29-15-30-27(21)32-23)17-5-6-20-16(9-17)3-2-4-22(20)33-28(35)25-10-18-14-36-8-7-24(18)37-25/h5-6,9-13,15,22H,2-4,7-8,14H2,1H3,(H,33,35)(H,29,30,32).
What are the key properties of N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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 510.62 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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 118138990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).