N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide

C25H23N5O2S — CID 44815787

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@H](CO)c2ccccc2)cc1-c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C25H23N5O2S/c1-16-20(10-24(33-16)25(32)28-22(15-31)17-6-4-3-5-7-17)21-12-27-30-14-18(8-9-23(21)30)19-11-26-29(2)13-19/h3-14,22,31H,15H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyBGYCILLXWWMOFC-JOCHJYFZSA-N
MW457.56 g/mol
LogP4.24
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 44815787) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID44815787
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@H](CO)c2ccccc2)cc1-c1cnn2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C25H23N5O2S/c1-16-20(10-24(33-16)25(32)28-22(15-31)17-6-4-3-5-7-17)21-12-27-30-14-18(8-9-23(21)30)19-11-26-29(2)13-19/h3-14,22,31H,15H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyBGYCILLXWWMOFC-JOCHJYFZSA-N
XLogP4.24
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide (CID 44815787) is N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide is Cc1sc(C(=O)N[C@H](CO)c2ccccc2)cc1-c1cnn2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is BGYCILLXWWMOFC-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-16-20(10-24(33-16)25(32)28-22(15-31)17-6-4-3-5-7-17)21-12-27-30-14-18(8-9-23(21)30)19-11-26-29(2)13-19/h3-14,22,31H,15H2,1-2H3,(H,28,32)/t22-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 44815787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).