5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine

C18H25N7O — CID 171838626

IUPAC5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCc1nc2cnn(CC3CCOCC3)c2nc1Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C18H25N7O/c1-11(2)14-8-16(24-23-14)21-17-12(3)20-15-9-19-25(18(15)22-17)10-13-4-6-26-7-5-13/h8-9,11,13H,4-7,10H2,1-3H3,(H2,21,22,23,24)
InChIKeyBXAWRKJPRSRXKM-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.15
Rot. Bonds5

About 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine

5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 171838626) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID171838626
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCc1nc2cnn(CC3CCOCC3)c2nc1Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C18H25N7O/c1-11(2)14-8-16(24-23-14)21-17-12(3)20-15-9-19-25(18(15)22-17)10-13-4-6-26-7-5-13/h8-9,11,13H,4-7,10H2,1-3H3,(H2,21,22,23,24)
InChIKeyBXAWRKJPRSRXKM-UHFFFAOYSA-N
XLogP3.15
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-(tetrahydro-2H-pyran-4-yl)ethanol (8)
CID 86765991
9-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-9H-purin-2-amine
CID 25115965
5-propyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56915145
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95824299
3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110257040
N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-amine
CID 169143666
3-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 169859619
N-[5-[(2S)-1,1-difluoropropan-2-yl]-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
CID 171838588
N-[5-[(2R)-1,1-difluoropropan-2-yl]-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
CID 171838596
N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine
CID 171838774
N-[(3S,4S)-3-fluorooxan-4-yl]-5-propan-2-yl-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 177003619
N-[5-(1,1-difluoropropan-2-yl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
CID 178949914

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine (CID 171838626) is 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine is Cc1nc2cnn(CC3CCOCC3)c2nc1Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is BXAWRKJPRSRXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-11(2)14-8-16(24-23-14)21-17-12(3)20-15-9-19-25(18(15)22-17)10-13-4-6-26-7-5-13/h8-9,11,13H,4-7,10H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine?
5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 355.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 171838626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).