1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one

C16H23N5O — CID 124986176

IUPAC1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](c2cn3nccc3c(N(C)C)n2)C1
InChIInChI=1S/C16H23N5O/c1-4-15(22)20-9-5-6-12(10-20)13-11-21-14(7-8-17-21)16(18-13)19(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyNWSXIQHTIZIRTP-GFCCVEGCSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds3

About 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one (PubChem CID 124986176) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
PubChem CID124986176
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](c2cn3nccc3c(N(C)C)n2)C1
InChIInChI=1S/C16H23N5O/c1-4-15(22)20-9-5-6-12(10-20)13-11-21-14(7-8-17-21)16(18-13)19(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyNWSXIQHTIZIRTP-GFCCVEGCSA-N
XLogP1.91
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124963398
2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
CID 124943603
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 53137653
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 132765425
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
1-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51593591

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one (CID 124986176) is 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](c2cn3nccc3c(N(C)C)n2)C1.
What is the InChIKey of 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
The InChIKey is NWSXIQHTIZIRTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-15(22)20-9-5-6-12(10-20)13-11-21-14(7-8-17-21)16(18-13)19(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124986176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).