(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone

C18H27N5O — CID 119560611

IUPAC(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCCC(C)n1ncc2c(C(=O)N3CCC(NC)CC3)cc(C)nc21
InChIInChI=1S/C18H27N5O/c1-5-13(3)23-17-16(11-20-23)15(10-12(2)21-17)18(24)22-8-6-14(19-4)7-9-22/h10-11,13-14,19H,5-9H2,1-4H3
InChIKeyMXOOVRFYFRKCTF-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.53
Rot. Bonds4

About (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119560611) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119560611
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCCC(C)n1ncc2c(C(=O)N3CCC(NC)CC3)cc(C)nc21
InChIInChI=1S/C18H27N5O/c1-5-13(3)23-17-16(11-20-23)15(10-12(2)21-17)18(24)22-8-6-14(19-4)7-9-22/h10-11,13-14,19H,5-9H2,1-4H3
InChIKeyMXOOVRFYFRKCTF-UHFFFAOYSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110921318
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429817
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349273
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119395659
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119415093
[4-(methylaminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119542694
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537402
(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 75526408
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119409294
1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119560611) is (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone is CCC(C)n1ncc2c(C(=O)N3CCC(NC)CC3)cc(C)nc21.
What is the InChIKey of (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is MXOOVRFYFRKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-5-13(3)23-17-16(11-20-23)15(10-12(2)21-17)18(24)22-8-6-14(19-4)7-9-22/h10-11,13-14,19H,5-9H2,1-4H3.
What are the key properties of (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 329.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119560611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).