2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one

C17H25N5O — CID 124943603

IUPAC2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
SMILESCNc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)cn2nccc12
InChIInChI=1S/C17H25N5O/c1-17(2,3)16(23)21-9-5-6-12(10-21)13-11-22-14(7-8-19-22)15(18-4)20-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyBDWUEGLVSATYCF-LBPRGKRZSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds2

About 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one (PubChem CID 124943603) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
PubChem CID124943603
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
SMILESCNc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)cn2nccc12
InChIInChI=1S/C17H25N5O/c1-17(2,3)16(23)21-9-5-6-12(10-21)13-11-22-14(7-8-19-22)15(18-4)20-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyBDWUEGLVSATYCF-LBPRGKRZSA-N
XLogP2.52
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
1-[(3R)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
CID 124986176
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
2,2-dimethyl-1-[(3R)-3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124947365
3-[2-[(3R)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-pyridinyl]benzoic acid
CID 124965145
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120354
2,2-dimethyl-1-[(3S)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 125000040
1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125027002
4-[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]benzoic acid
CID 110120422
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110239981

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one (CID 124943603) is 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one is CNc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)cn2nccc12.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
The InChIKey is BDWUEGLVSATYCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)16(23)21-9-5-6-12(10-21)13-11-22-14(7-8-19-22)15(18-4)20-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124943603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).