(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide

C22H25ClN6O2 — CID 51960694

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H25ClN6O2/c1-13(2)29-20-16(10-25-29)9-18(14(3)26-20)22(31)28-8-4-5-15(12-28)21(30)27-19-7-6-17(23)11-24-19/h6-7,9-11,13,15H,4-5,8,12H2,1-3H3,(H,24,27,30)/t15-/m1/s1
InChIKeyOFEMKNYSZSQUJI-OAHLLOKOSA-N
MW440.94 g/mol
LogP3.86
Rot. Bonds4

About (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide (PubChem CID 51960694) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide
PubChem CID51960694
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C22H25ClN6O2/c1-13(2)29-20-16(10-25-29)9-18(14(3)26-20)22(31)28-8-4-5-15(12-28)21(30)27-19-7-6-17(23)11-24-19/h6-7,9-11,13,15H,4-5,8,12H2,1-3H3,(H,24,27,30)/t15-/m1/s1
InChIKeyOFEMKNYSZSQUJI-OAHLLOKOSA-N
XLogP3.86
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119592769
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56821394
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
(3,4-dichlorophenyl)-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]methanone
CID 55956262
[4-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119559795
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide
CID 55812742
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide (CID 51960694) is (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is OFEMKNYSZSQUJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-13(2)29-20-16(10-25-29)9-18(14(3)26-20)22(31)28-8-4-5-15(12-28)21(30)27-19-7-6-17(23)11-24-19/h6-7,9-11,13,15H,4-5,8,12H2,1-3H3,(H,24,27,30)/t15-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51960694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).