N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine

C33H43N5O2S — CID 159176122

IUPACN-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine
SMILESCCN(CC)CC.COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)C(=O)c3cccnc3)c(SC)nn12
InChIInChI=1S/C27H28N4O2S.C6H15N/c1-17-13-18(2)24(23(14-17)33-3)21-8-5-9-22-25(26(34-4)29-31(21)22)30(16-19-10-11-19)27(32)20-7-6-12-28-15-20;1-4-7(5-2)6-3/h5-9,12-15,19H,10-11,16H2,1-4H3;4-6H2,1-3H3
InChIKeyKMHMBMFMURLPLD-UHFFFAOYSA-N
MW573.81 g/mol
LogP7.15
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine

N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine (PubChem CID 159176122) has the molecular formula C33H43N5O2S and a molecular weight of 573.81 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine
PubChem CID159176122
Molecular FormulaC33H43N5O2S
Molecular Weight573.81 g/mol
Exact Mass573.31
IUPAC NameN-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine
SMILESCCN(CC)CC.COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)C(=O)c3cccnc3)c(SC)nn12
InChIInChI=1S/C27H28N4O2S.C6H15N/c1-17-13-18(2)24(23(14-17)33-3)21-8-5-9-22-25(26(34-4)29-31(21)22)30(16-19-10-11-19)27(32)20-7-6-12-28-15-20;1-4-7(5-2)6-3/h5-9,12-15,19H,10-11,16H2,1-4H3;4-6H2,1-3H3
InChIKeyKMHMBMFMURLPLD-UHFFFAOYSA-N
XLogP7.15
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.81
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine (CID 159176122) is N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine is CCN(CC)CC.COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)C(=O)c3cccnc3)c(SC)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine?
The InChIKey is KMHMBMFMURLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S.C6H15N/c1-17-13-18(2)24(23(14-17)33-3)21-8-5-9-22-25(26(34-4)29-31(21)22)30(16-19-10-11-19)27(32)20-7-6-12-28-15-20;1-4-7(5-2)6-3/h5-9,12-15,19H,10-11,16H2,1-4H3;4-6H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine?
N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine has a molecular weight of 573.81 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[7-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide;N,N-diethylethanamine is sourced from PubChem (CID 159176122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).