[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone

C22H21N7OS — CID 146537670

IUPAC[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone
SMILESN[C@@H]1c2scnc2CC12CCN(c1cnc3c(C(=O)c4ccccc4)[nH]nc3n1)CC2
InChIInChI=1S/C22H21N7OS/c23-20-19-14(25-12-31-19)10-22(20)6-8-29(9-7-22)15-11-24-17-16(27-28-21(17)26-15)18(30)13-4-2-1-3-5-13/h1-5,11-12,20H,6-10,23H2,(H,26,27,28)/t20-/m1/s1
InChIKeyZCFDPZJARKONBY-HXUWFJFHSA-N
MW431.53 g/mol
LogP2.88
Rot. Bonds3

About [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone

[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone (PubChem CID 146537670) has the molecular formula C22H21N7OS and a molecular weight of 431.53 g/mol. Its IUPAC name is [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone
PubChem CID146537670
Molecular FormulaC22H21N7OS
Molecular Weight431.53 g/mol
Exact Mass431.15
IUPAC Name[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone
SMILESN[C@@H]1c2scnc2CC12CCN(c1cnc3c(C(=O)c4ccccc4)[nH]nc3n1)CC2
InChIInChI=1S/C22H21N7OS/c23-20-19-14(25-12-31-19)10-22(20)6-8-29(9-7-22)15-11-24-17-16(27-28-21(17)26-15)18(30)13-4-2-1-3-5-13/h1-5,11-12,20H,6-10,23H2,(H,26,27,28)/t20-/m1/s1
InChIKeyZCFDPZJARKONBY-HXUWFJFHSA-N
XLogP2.88
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone with MolForge

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Related Compounds

(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 172853248
4-[6-(6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-12-one
CID 176639003
(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167307383
(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 134368037
4-N-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 155774103
[1'-(5-benzoylpyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512142
4-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]pyridine-2-carboxylic acid
CID 175341982
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5,6-dichloro-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166823201
4-[6-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-12-one
CID 176639015
1-[4-[6-[(4S)-4-amino-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-2-pyridinyl]pyrrolidin-3-ol
CID 146537261
3-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]benzamide
CID 166823374
1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 155766778

Frequently Asked Questions

What is the IUPAC name of [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone?
The IUPAC name of [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone (CID 146537670) is [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone.
What is the SMILES notation for [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone?
The canonical SMILES for [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone is N[C@@H]1c2scnc2CC12CCN(c1cnc3c(C(=O)c4ccccc4)[nH]nc3n1)CC2.
What is the InChIKey of [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone?
The InChIKey is ZCFDPZJARKONBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N7OS/c23-20-19-14(25-12-31-19)10-22(20)6-8-29(9-7-22)15-11-24-17-16(27-28-21(17)26-15)18(30)13-4-2-1-3-5-13/h1-5,11-12,20H,6-10,23H2,(H,26,27,28)/t20-/m1/s1.
What are the key properties of [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone?
[6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone has a molecular weight of 431.53 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6S)-6-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-phenylmethanone is sourced from PubChem (CID 146537670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).