[(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C22H21N9S — CID 171410007

IUPAC[(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCc1csc(C2(CN)[C@@H]3CN(c4cnc5c(-c6cccn7nccc67)[nH]nc5n4)C[C@@H]32)n1
InChIInChI=1S/C22H21N9S/c1-12-10-32-21(26-12)22(11-23)14-8-30(9-15(14)22)17-7-24-19-18(28-29-20(19)27-17)13-3-2-6-31-16(13)4-5-25-31/h2-7,10,14-15H,8-9,11,23H2,1H3,(H,27,28,29)/t14-,15+,22?
InChIKeyFEHUNTAWTYHEOF-SZLXDWMPSA-N
MW443.54 g/mol
LogP2.40
Rot. Bonds4

About [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

[(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 171410007) has the molecular formula C22H21N9S and a molecular weight of 443.54 g/mol. Its IUPAC name is [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID171410007
Molecular FormulaC22H21N9S
Molecular Weight443.54 g/mol
Exact Mass443.16
IUPAC Name[(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCc1csc(C2(CN)[C@@H]3CN(c4cnc5c(-c6cccn7nccc67)[nH]nc5n4)C[C@@H]32)n1
InChIInChI=1S/C22H21N9S/c1-12-10-32-21(26-12)22(11-23)14-8-30(9-15(14)22)17-7-24-19-18(28-29-20(19)27-17)13-3-2-6-31-16(13)4-5-25-31/h2-7,10,14-15H,8-9,11,23H2,1H3,(H,27,28,29)/t14-,15+,22?
InChIKeyFEHUNTAWTYHEOF-SZLXDWMPSA-N
XLogP2.40
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
US10030027, Example 241A
CID 129242860
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
[(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164850792
4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657802
N-methyl-N-piperidin-4-yl-2-[7-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 156310675
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
(S)-6-(benzo[d]thiazol-6-yl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526082

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 171410007) is [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is Cc1csc(C2(CN)[C@@H]3CN(c4cnc5c(-c6cccn7nccc67)[nH]nc5n4)C[C@@H]32)n1.
What is the InChIKey of [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is FEHUNTAWTYHEOF-SZLXDWMPSA-N. The full InChI is InChI=1S/C22H21N9S/c1-12-10-32-21(26-12)22(11-23)14-8-30(9-15(14)22)17-7-24-19-18(28-29-20(19)27-17)13-3-2-6-31-16(13)4-5-25-31/h2-7,10,14-15H,8-9,11,23H2,1H3,(H,27,28,29)/t14-,15+,22?.
What are the key properties of [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
[(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 443.54 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-(4-methyl-1,3-thiazol-2-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 171410007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).