3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C14H15N7 — CID 110257040

IUPAC3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CCC(c3[nH]nc4nccnc34)C2)ncn1
InChIInChI=1S/C14H15N7/c1-9-6-11(18-8-17-9)21-5-2-10(7-21)12-13-14(20-19-12)16-4-3-15-13/h3-4,6,8,10H,2,5,7H2,1H3,(H,16,19,20)
InChIKeyALFQAZRCJNGHMX-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.45
Rot. Bonds2

About 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 110257040) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID110257040
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CCC(c3[nH]nc4nccnc34)C2)ncn1
InChIInChI=1S/C14H15N7/c1-9-6-11(18-8-17-9)21-5-2-10(7-21)12-13-14(20-19-12)16-4-3-15-13/h3-4,6,8,10H,2,5,7H2,1H3,(H,16,19,20)
InChIKeyALFQAZRCJNGHMX-UHFFFAOYSA-N
XLogP1.45
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Spastazoline
CID 135397891
3-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115964
3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)-N~2~-[(1s)-1-(1h-Pyrrolo[3,2-B]pyridin-5-Yl)ethyl]pyrimidine-2,4-Diamine
CID 71611421
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
CID 25115962
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706313
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706472
5-(1-methylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine
CID 68353940

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 110257040) is 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is Cc1cc(N2CCC(c3[nH]nc4nccnc34)C2)ncn1.
What is the InChIKey of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is ALFQAZRCJNGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-9-6-11(18-8-17-9)21-5-2-10(7-21)12-13-14(20-19-12)16-4-3-15-13/h3-4,6,8,10H,2,5,7H2,1H3,(H,16,19,20).
What are the key properties of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 281.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110257040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).