1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine

C15H17N7 — CID 95824321

IUPAC1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CC[C@H](c3nn(C)c4nccnc34)C2)ncn1
InChIInChI=1S/C15H17N7/c1-10-7-12(19-9-18-10)22-6-3-11(8-22)13-14-15(21(2)20-13)17-5-4-16-14/h4-5,7,9,11H,3,6,8H2,1-2H3/t11-/m0/s1
InChIKeyJPZIMMVFQYUJKD-NSHDSACASA-N
MW295.35 g/mol
LogP1.46
Rot. Bonds2

About 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine

1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 95824321) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine
PubChem CID95824321
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CC[C@H](c3nn(C)c4nccnc34)C2)ncn1
InChIInChI=1S/C15H17N7/c1-10-7-12(19-9-18-10)22-6-3-11(8-22)13-14-15(21(2)20-13)17-5-4-16-14/h4-5,7,9,11H,3,6,8H2,1-2H3/t11-/m0/s1
InChIKeyJPZIMMVFQYUJKD-NSHDSACASA-N
XLogP1.46
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine (CID 95824321) is 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine is Cc1cc(N2CC[C@H](c3nn(C)c4nccnc34)C2)ncn1.
What is the InChIKey of 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine?
The InChIKey is JPZIMMVFQYUJKD-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N7/c1-10-7-12(19-9-18-10)22-6-3-11(8-22)13-14-15(21(2)20-13)17-5-4-16-14/h4-5,7,9,11H,3,6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine?
1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine has a molecular weight of 295.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95824321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).