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

C27H23N3O3S — CID 44815962

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12
InChIInChI=1S/C27H23N3O3S/c1-33-24-12-20(18-8-4-2-5-9-18)15-30-26(24)22(14-28-30)21-13-25(34-17-21)27(32)29-23(16-31)19-10-6-3-7-11-19/h2-15,17,23,31H,16H2,1H3,(H,29,32)/t23-/m1/s1
InChIKeyQSVGYMNHXVCOPO-HSZRJFAPSA-N
MW469.57 g/mol
LogP5.20
Rot. Bonds7

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

N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 44815962) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
PubChem CID44815962
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)cn2ncc(-c3csc(C(=O)N[C@H](CO)c4ccccc4)c3)c12
InChIInChI=1S/C27H23N3O3S/c1-33-24-12-20(18-8-4-2-5-9-18)15-30-26(24)22(14-28-30)21-13-25(34-17-21)27(32)29-23(16-31)19-10-6-3-7-11-19/h2-15,17,23,31H,16H2,1H3,(H,29,32)/t23-/m1/s1
InChIKeyQSVGYMNHXVCOPO-HSZRJFAPSA-N
XLogP5.20
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide (CID 44815962) is N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[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-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide is COc1cc(-c2ccccc2)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-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is QSVGYMNHXVCOPO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-33-24-12-20(18-8-4-2-5-9-18)15-30-26(24)22(14-28-30)21-13-25(34-17-21)27(32)29-23(16-31)19-10-6-3-7-11-19/h2-15,17,23,31H,16H2,1H3,(H,29,32)/t23-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methoxy-6-phenylpyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 44815962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).