[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C17H21N5O2 — CID 91915294

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3cnccn3)CC2)c2c1CCOC2
InChIInChI=1S/C17H21N5O2/c1-21-15-4-9-24-11-13(15)16(20-21)12-2-7-22(8-3-12)17(23)14-10-18-5-6-19-14/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyRUVILLXOGRDDQT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.30
Rot. Bonds2

About [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 91915294) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID91915294
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3cnccn3)CC2)c2c1CCOC2
InChIInChI=1S/C17H21N5O2/c1-21-15-4-9-24-11-13(15)16(20-21)12-2-7-22(8-3-12)17(23)14-10-18-5-6-19-14/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyRUVILLXOGRDDQT-UHFFFAOYSA-N
XLogP1.30
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 91915303
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone
CID 91917559
[(3R)-3-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95824177
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 141218895
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[4-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95798541
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 91915294) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is Cn1nc(C2CCN(C(=O)c3cnccn3)CC2)c2c1CCOC2.
What is the InChIKey of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is RUVILLXOGRDDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-15-4-9-24-11-13(15)16(20-21)12-2-7-22(8-3-12)17(23)14-10-18-5-6-19-14/h5-6,10,12H,2-4,7-9,11H2,1H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91915294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).