4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine

C18H26N6O2S — CID 118720618

IUPAC4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine
SMILESC[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc(N)c1
InChIInChI=1S/C18H26N6O2S/c1-13-11-24-17(12-23(13)15-3-6-20-18(19)9-15)16(10-21-24)14-4-7-22(8-5-14)27(2,25)26/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H2,19,20)/t13-/m1/s1
InChIKeyHKJNCMXEQXBCBI-CYBMUJFWSA-N
MW390.51 g/mol
LogP1.41
Rot. Bonds3

About 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine

4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine (PubChem CID 118720618) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine
PubChem CID118720618
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine
SMILESC[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc(N)c1
InChIInChI=1S/C18H26N6O2S/c1-13-11-24-17(12-23(13)15-3-6-20-18(19)9-15)16(10-21-24)14-4-7-22(8-5-14)27(2,25)26/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H2,19,20)/t13-/m1/s1
InChIKeyHKJNCMXEQXBCBI-CYBMUJFWSA-N
XLogP1.41
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine (CID 118720618) is 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine is C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc(N)c1.
What is the InChIKey of 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine?
The InChIKey is HKJNCMXEQXBCBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-13-11-24-17(12-23(13)15-3-6-20-18(19)9-15)16(10-21-24)14-4-7-22(8-5-14)27(2,25)26/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3,(H2,19,20)/t13-/m1/s1.
What are the key properties of 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine?
4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine has a molecular weight of 390.51 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-6-methyl-3-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyridin-2-amine is sourced from PubChem (CID 118720618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).