8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C21H26ClN7OS — CID 135242043

IUPAC8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)COC(C)C3N)c2ccnn2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C21H26ClN7OS/c1-12-20(31-15-4-7-25-18(24)16(15)22)29-14(3-8-26-29)19(27-12)28-9-5-21(6-10-28)11-30-13(2)17(21)23/h3-4,7-8,13,17H,5-6,9-11,23H2,1-2H3,(H2,24,25)
InChIKeyDBZMLVHSKWQDAH-UHFFFAOYSA-N
MW460.01 g/mol
LogP3.15
Rot. Bonds3

About 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 135242043) has the molecular formula C21H26ClN7OS and a molecular weight of 460.01 g/mol. Its IUPAC name is 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID135242043
Molecular FormulaC21H26ClN7OS
Molecular Weight460.01 g/mol
Exact Mass459.16
IUPAC Name8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)COC(C)C3N)c2ccnn2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C21H26ClN7OS/c1-12-20(31-15-4-7-25-18(24)16(15)22)29-14(3-8-26-29)19(27-12)28-9-5-21(6-10-28)11-30-13(2)17(21)23/h3-4,7-8,13,17H,5-6,9-11,23H2,1-2H3,(H2,24,25)
InChIKeyDBZMLVHSKWQDAH-UHFFFAOYSA-N
XLogP3.15
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.01
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 135242043) is 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)COC(C)C3N)c2ccnn2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is DBZMLVHSKWQDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN7OS/c1-12-20(31-15-4-7-25-18(24)16(15)22)29-14(3-8-26-29)19(27-12)28-9-5-21(6-10-28)11-30-13(2)17(21)23/h3-4,7-8,13,17H,5-6,9-11,23H2,1-2H3,(H2,24,25).
What are the key properties of 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 460.01 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 135242043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).