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

C27H26N6O2S — CID 118139206

IUPACN-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1C(C)NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C27H26N6O2S/c1-15-8-17(25-21-10-22(19-11-30-33(3)12-19)32-26(21)29-14-28-25)4-5-20(15)16(2)31-27(34)24-9-18-13-35-7-6-23(18)36-24/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,31,34)(H,28,29,32)
InChIKeyRUTNXWCLSWWEAF-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.96
Rot. Bonds5

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

N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118139206) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID118139206
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC NameN-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1C(C)NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C27H26N6O2S/c1-15-8-17(25-21-10-22(19-11-30-33(3)12-19)32-26(21)29-14-28-25)4-5-20(15)16(2)31-27(34)24-9-18-13-35-7-6-23(18)36-24/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,31,34)(H,28,29,32)
InChIKeyRUTNXWCLSWWEAF-UHFFFAOYSA-N
XLogP4.96
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-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-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118139206) is N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1C(C)NC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is RUTNXWCLSWWEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-15-8-17(25-21-10-22(19-11-30-33(3)12-19)32-26(21)29-14-28-25)4-5-20(15)16(2)31-27(34)24-9-18-13-35-7-6-23(18)36-24/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,31,34)(H,28,29,32).
What are the key properties of N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 118139206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).