N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H27N5O2S — CID 78881323

IUPACN-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCCCC3)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C22H27N5O2S/c1-13(2)27-19-16(12-24-27)15(11-17(25-19)18-8-7-14(3)30-18)20(28)26-22(21(23)29)9-5-4-6-10-22/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,23,29)(H,26,28)
InChIKeyBMNHXEDEHPZALQ-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.97
Rot. Bonds5

About N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78881323) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78881323
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCCCC3)c3cnn(C(C)C)c3n2)s1
InChIInChI=1S/C22H27N5O2S/c1-13(2)27-19-16(12-24-27)15(11-17(25-19)18-8-7-14(3)30-18)20(28)26-22(21(23)29)9-5-4-6-10-22/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,23,29)(H,26,28)
InChIKeyBMNHXEDEHPZALQ-UHFFFAOYSA-N
XLogP3.97
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methylthiophen-2-yl)-N,1-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689458
N-(2-aminoethyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119384940
2-[[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
CID 119350254
N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55805963
N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119564933
N-[1-(aminomethyl)cyclopentyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119564932
1-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530413
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119453480
N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119508664
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46688902
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164
6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46524468

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 78881323) is N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC3(C(N)=O)CCCCC3)c3cnn(C(C)C)c3n2)s1.
What is the InChIKey of N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BMNHXEDEHPZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-13(2)27-19-16(12-24-27)15(11-17(25-19)18-8-7-14(3)30-18)20(28)26-22(21(23)29)9-5-4-6-10-22/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,23,29)(H,26,28).
What are the key properties of N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclohexyl)-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78881323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).