(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

C16H18N6O — CID 95811515

IUPAC(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3[nH]nc4ncccc34)CC2)cn1
InChIInChI=1S/C16H18N6O/c1-21-10-12(9-18-21)16(23)22-7-4-11(5-8-22)14-13-3-2-6-17-15(13)20-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,19,20)
InChIKeyBLVSLUOPXRQQQG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 95811515) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID95811515
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3[nH]nc4ncccc34)CC2)cn1
InChIInChI=1S/C16H18N6O/c1-21-10-12(9-18-21)16(23)22-7-4-11(5-8-22)14-13-3-2-6-17-15(13)20-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,19,20)
InChIKeyBLVSLUOPXRQQQG-UHFFFAOYSA-N
XLogP1.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532
2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 125008304
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone
CID 124973264
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95824574

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 95811515) is (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(c3[nH]nc4ncccc34)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is BLVSLUOPXRQQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-10-12(9-18-21)16(23)22-7-4-11(5-8-22)14-13-3-2-6-17-15(13)20-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,19,20).
What are the key properties of (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95811515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).