[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

C18H20N6O — CID 128883127

IUPAC[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1
InChIInChI=1S/C18H20N6O/c25-18(17-14-3-1-2-4-15(14)21-22-17)23-7-5-13(6-8-23)24-16-11-19-9-12(16)10-20-24/h1-4,10,13,19H,5-9,11H2,(H,21,22)
InChIKeyHGGQXCVENANQTF-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.84
Rot. Bonds2

About [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 128883127) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID128883127
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1
InChIInChI=1S/C18H20N6O/c25-18(17-14-3-1-2-4-15(14)21-22-17)23-7-5-13(6-8-23)24-16-11-19-9-12(16)10-20-24/h1-4,10,13,19H,5-9,11H2,(H,21,22)
InChIKeyHGGQXCVENANQTF-UHFFFAOYSA-N
XLogP1.84
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(4-fluoronaphthalen-1-yl)methanone
CID 166298602
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632111
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
3,4-dihydro-1H-isochromen-1-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883561
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 128883127) is [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC(n2ncc3c2CNC3)CC1.
What is the InChIKey of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is HGGQXCVENANQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(17-14-3-1-2-4-15(14)21-22-17)23-7-5-13(6-8-23)24-16-11-19-9-12(16)10-20-24/h1-4,10,13,19H,5-9,11H2,(H,21,22).
What are the key properties of [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 128883127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).