1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine

C25H27N7 — CID 153358556

IUPAC1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC/C=C\c1cc(-c2nn(Cc3ccc4c(c3)CCN(C)C4)c3ncnc(N)c23)cnc1C
InChIInChI=1S/C25H27N7/c1-4-5-18-11-21(12-27-16(18)2)23-22-24(26)28-15-29-25(22)32(30-23)13-17-6-7-20-14-31(3)9-8-19(20)10-17/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,26,28,29)/b5-4-
InChIKeyQHFDOODBFAWACM-PLNGDYQASA-N
MW425.54 g/mol
LogP3.85
Rot. Bonds4

About 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 153358556) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID153358556
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC/C=C\c1cc(-c2nn(Cc3ccc4c(c3)CCN(C)C4)c3ncnc(N)c23)cnc1C
InChIInChI=1S/C25H27N7/c1-4-5-18-11-21(12-27-16(18)2)23-22-24(26)28-15-29-25(22)32(30-23)13-17-6-7-20-14-31(3)9-8-19(20)10-17/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,26,28,29)/b5-4-
InChIKeyQHFDOODBFAWACM-PLNGDYQASA-N
XLogP3.85
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(7H-cyclopenta[b]pyridin-3-yl)-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 165064918
(E)-2-[2-[2-(methylamino)ethyl-[2-[2-(3-oxo-3-piperazin-1-ylpropoxy)ethoxy]ethyl]amino]ethyliminomethyl]-3-(methylideneamino)prop-2-enal;1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 153358642
6-[[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146223866
3-iodo-1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160661826
tert-butyl 6-[(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 165406288
5-[4-amino-1-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;ethane
CID 178091085
3-[3-(3-amino-3-methylbutoxy)-3-methylbutoxy]propanal;5-[4-amino-1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 165406264
[6-[[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 153276652
[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanone
CID 164793399
1-[6-[[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-one
CID 162473714
[4-[5-[6-[[4-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrimidin-2-yl]piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 162473809
CID 153358641
CID 153358641

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 153358556) is 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine is C/C=C\c1cc(-c2nn(Cc3ccc4c(c3)CCN(C)C4)c3ncnc(N)c23)cnc1C.
What is the InChIKey of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QHFDOODBFAWACM-PLNGDYQASA-N. The full InChI is InChI=1S/C25H27N7/c1-4-5-18-11-21(12-27-16(18)2)23-22-24(26)28-15-29-25(22)32(30-23)13-17-6-7-20-14-31(3)9-8-19(20)10-17/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,26,28,29)/b5-4-.
What are the key properties of 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 425.54 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]-3-[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 153358556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).