phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone

C17H17N5O — CID 51590018

IUPACphenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2[nH]nc3nccnc23)C1
InChIInChI=1S/C17H17N5O/c23-17(12-5-2-1-3-6-12)22-10-4-7-13(11-22)14-15-16(21-20-14)19-9-8-18-15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,19,20,21)/t13-/m0/s1
InChIKeyOTPJMSFNRYWZDH-ZDUSSCGKSA-N
MW307.36 g/mol
LogP2.37
Rot. Bonds2

About phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone

phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 51590018) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID51590018
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Namephenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2[nH]nc3nccnc23)C1
InChIInChI=1S/C17H17N5O/c23-17(12-5-2-1-3-6-12)22-10-4-7-13(11-22)14-15-16(21-20-14)19-9-8-18-15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,19,20,21)/t13-/m0/s1
InChIKeyOTPJMSFNRYWZDH-ZDUSSCGKSA-N
XLogP2.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110234060
(4-prop-2-enoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110234085
3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853465
(2,5-dimethoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110243925
(2,5-dimethoxyphenyl)-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 92594479
2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110234073
(4,7-dimethoxy-1H-indol-2-yl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 46965642
3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853476
3-[1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110234027
(7-chloro-4-methoxyquinolin-3-yl)-[(3R)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 92611601
2-(4-methoxyphenyl)sulfonyl-1-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 51596396
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone (CID 51590018) is phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@H](c2[nH]nc3nccnc23)C1.
What is the InChIKey of phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is OTPJMSFNRYWZDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(12-5-2-1-3-6-12)22-10-4-7-13(11-22)14-15-16(21-20-14)19-9-8-18-15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,19,20,21)/t13-/m0/s1.
What are the key properties of phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51590018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).