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

C25H23N5O3S — CID 58385945

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12
InChIInChI=1S/C25H23N5O3S/c1-29-12-19(10-26-29)17-8-22(33-2)24-20(11-27-30(24)13-17)18-9-23(34-15-18)25(32)28-21(14-31)16-6-4-3-5-7-16/h3-13,15,21,31H,14H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyAPTYKOFTROJTFV-OAQYLSRUSA-N
MW473.56 g/mol
LogP3.94
Rot. Bonds7

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

N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 58385945) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID58385945
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12
InChIInChI=1S/C25H23N5O3S/c1-29-12-19(10-26-29)17-8-22(33-2)24-20(11-27-30(24)13-17)18-9-23(34-15-18)25(32)28-21(14-31)16-6-4-3-5-7-16/h3-13,15,21,31H,14H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyAPTYKOFTROJTFV-OAQYLSRUSA-N
XLogP3.94
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
CID 44815962
4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67350176
N-(3-amino-4,4,4-trifluorobutyl)-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
CID 58386007
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
N-[(1R,2S)-2-amino-3,3,3-trifluoro-1-phenylpropyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603903
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 59603955
[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
CID 59604043
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820315
3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one
CID 58404732

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-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]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide (CID 58385945) is N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-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]-4-[4-methoxy-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]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide is COc1cc(-c2cnn(C)c2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is APTYKOFTROJTFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-29-12-19(10-26-29)17-8-22(33-2)24-20(11-27-30(24)13-17)18-9-23(34-15-18)25(32)28-21(14-31)16-6-4-3-5-7-16/h3-13,15,21,31H,14H2,1-2H3,(H,28,32)/t21-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58385945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).