N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C21H19N7 — CID 95896253

IUPACN-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C21H19N7/c1-13(15-3-4-18-16(11-15)7-10-23-18)25-20-17-12-24-28(2)21(17)27-19(26-20)14-5-8-22-9-6-14/h3-13,23H,1-2H3,(H,25,26,27)/t13-/m1/s1
InChIKeyWAGFKCZSEYZAIG-CYBMUJFWSA-N
MW369.43 g/mol
LogP4.08
Rot. Bonds4

About N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95896253) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95896253
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC NameN-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C21H19N7/c1-13(15-3-4-18-16(11-15)7-10-23-18)25-20-17-12-24-28(2)21(17)27-19(26-20)14-5-8-22-9-6-14/h3-13,23H,1-2H3,(H,25,26,27)/t13-/m1/s1
InChIKeyWAGFKCZSEYZAIG-CYBMUJFWSA-N
XLogP4.08
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70712455
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95723480
1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70726617
1-methyl-N-[1-(4-methyl-2-pyridinyl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56891373
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134587658
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
1-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56916981

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95896253) is N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is C[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WAGFKCZSEYZAIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19N7/c1-13(15-3-4-18-16(11-15)7-10-23-18)25-20-17-12-24-28(2)21(17)27-19(26-20)14-5-8-22-9-6-14/h3-13,23H,1-2H3,(H,25,26,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95896253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).