1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H20N8 — CID 95707102

IUPAC1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C
InChIInChI=1S/C18H20N8/c1-4-14(15-7-9-20-25(15)2)22-17-13-11-21-26(3)18(13)24-16(23-17)12-6-5-8-19-10-12/h5-11,14H,4H2,1-3H3,(H,22,23,24)/t14-/m0/s1
InChIKeyPEOZDYAEFZCFAQ-AWEZNQCLSA-N
MW348.41 g/mol
LogP2.72
Rot. Bonds5

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

1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95707102) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95707102
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C
InChIInChI=1S/C18H20N8/c1-4-14(15-7-9-20-25(15)2)22-17-13-11-21-26(3)18(13)24-16(23-17)12-6-5-8-19-10-12/h5-11,14H,4H2,1-3H3,(H,22,23,24)/t14-/m0/s1
InChIKeyPEOZDYAEFZCFAQ-AWEZNQCLSA-N
XLogP2.72
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95707102) is 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1ccnn1C.
What is the InChIKey of 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PEOZDYAEFZCFAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N8/c1-4-14(15-7-9-20-25(15)2)22-17-13-11-21-26(3)18(13)24-16(23-17)12-6-5-8-19-10-12/h5-11,14H,4H2,1-3H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95707102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).