6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine

C18H21N9 — CID 122198700

IUPAC6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine
SMILESNc1nn(-c2ccc3[nH]ncc3c2)c2nc(NC3CCCC[C@H]3N)cnc12
InChIInChI=1S/C18H21N9/c19-12-3-1-2-4-14(12)23-15-9-21-16-17(20)26-27(18(16)24-15)11-5-6-13-10(7-11)8-22-25-13/h5-9,12,14H,1-4,19H2,(H2,20,26)(H,22,25)(H,23,24)/t12-,14?/m1/s1
InChIKeyRQDYSMVAEIFPDO-PUODRLBUSA-N
MW363.43 g/mol
LogP1.96
Rot. Bonds3

About 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine

6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine (PubChem CID 122198700) has the molecular formula C18H21N9 and a molecular weight of 363.43 g/mol. Its IUPAC name is 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine.

Molecular Properties

Compound Name6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine
PubChem CID122198700
Molecular FormulaC18H21N9
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine
SMILESNc1nn(-c2ccc3[nH]ncc3c2)c2nc(NC3CCCC[C@H]3N)cnc12
InChIInChI=1S/C18H21N9/c19-12-3-1-2-4-14(12)23-15-9-21-16-17(20)26-27(18(16)24-15)11-5-6-13-10(7-11)8-22-25-13/h5-9,12,14H,1-4,19H2,(H2,20,26)(H,22,25)(H,23,24)/t12-,14?/m1/s1
InChIKeyRQDYSMVAEIFPDO-PUODRLBUSA-N
XLogP1.96
TPSA136.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine?
The IUPAC name of 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine (CID 122198700) is 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine.
What is the SMILES notation for 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine?
The canonical SMILES for 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine is Nc1nn(-c2ccc3[nH]ncc3c2)c2nc(NC3CCCC[C@H]3N)cnc12.
What is the InChIKey of 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine?
The InChIKey is RQDYSMVAEIFPDO-PUODRLBUSA-N. The full InChI is InChI=1S/C18H21N9/c19-12-3-1-2-4-14(12)23-15-9-21-16-17(20)26-27(18(16)24-15)11-5-6-13-10(7-11)8-22-25-13/h5-9,12,14H,1-4,19H2,(H2,20,26)(H,22,25)(H,23,24)/t12-,14?/m1/s1.
What are the key properties of 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine?
6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine has a molecular weight of 363.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2R)-2-aminocyclohexyl]-1-(1H-indazol-5-yl)pyrazolo[3,4-b]pyrazine-3,6-diamine is sourced from PubChem (CID 122198700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).