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

C25H26N6O3S — CID 118139616

IUPACN-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(CO)NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C25H26N6O3S/c1-15-9-16(20-5-7-26-25(30-20)28-18-11-27-31(2)12-18)3-4-19(15)21(13-32)29-24(33)23-10-17-14-34-8-6-22(17)35-23/h3-5,7,9-12,21,32H,6,8,13-14H2,1-2H3,(H,29,33)(H,26,28,30)
InChIKeyTYYZBSRWAFNDGV-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.53
Rot. Bonds7

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

N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118139616) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID118139616
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(CO)NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C25H26N6O3S/c1-15-9-16(20-5-7-26-25(30-20)28-18-11-27-31(2)12-18)3-4-19(15)21(13-32)29-24(33)23-10-17-14-34-8-6-22(17)35-23/h3-5,7,9-12,21,32H,6,8,13-14H2,1-2H3,(H,29,33)(H,26,28,30)
InChIKeyTYYZBSRWAFNDGV-UHFFFAOYSA-N
XLogP3.53
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]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-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118139616) is N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1C(CO)NC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is TYYZBSRWAFNDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-15-9-16(20-5-7-26-25(30-20)28-18-11-27-31(2)12-18)3-4-19(15)21(13-32)29-24(33)23-10-17-14-34-8-6-22(17)35-23/h3-5,7,9-12,21,32H,6,8,13-14H2,1-2H3,(H,29,33)(H,26,28,30).
What are the key properties of N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 118139616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).