1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H19N7 — CID 70712455

IUPAC1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccnc1[C@H](C)Nc1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C19H19N7/c1-12-5-4-8-21-16(12)13(2)23-18-15-11-22-26(3)19(15)25-17(24-18)14-6-9-20-10-7-14/h4-11,13H,1-3H3,(H,23,24,25)/t13-/m0/s1
InChIKeyDZWFMWJTODZLEY-ZDUSSCGKSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds4

About 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70712455) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70712455
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccnc1[C@H](C)Nc1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C19H19N7/c1-12-5-4-8-21-16(12)13(2)23-18-15-11-22-26(3)19(15)25-17(24-18)14-6-9-20-10-7-14/h4-11,13H,1-3H3,(H,23,24,25)/t13-/m0/s1
InChIKeyDZWFMWJTODZLEY-ZDUSSCGKSA-N
XLogP3.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

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
N-[(1R)-1-(1H-indol-5-yl)ethyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95896253
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
N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
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
1-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95729684
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-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
6-tert-butyl-1-methyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56902389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70712455) is 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccnc1[C@H](C)Nc1nc(-c2ccncc2)nc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DZWFMWJTODZLEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N7/c1-12-5-4-8-21-16(12)13(2)23-18-15-11-22-26(3)19(15)25-17(24-18)14-6-9-20-10-7-14/h4-11,13H,1-3H3,(H,23,24,25)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70712455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).