(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride

C26H28ClFN6 — CID 169080051

IUPAC(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
SMILESCc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N.Cl
InChIInChI=1S/C26H27FN6.ClH/c1-16-7-8-19-21(30-16)15-26(24(19)28)10-13-32(14-11-26)25-22-9-12-29-33(22)23(17(2)31-25)18-5-3-4-6-20(18)27;/h3-9,12,24H,10-11,13-15,28H2,1-2H3;1H/t24-;/m1./s1
InChIKeyKBQGHTQFNTUZKQ-GJFSDDNBSA-N
MW479.00 g/mol
LogP4.81
Rot. Bonds2

About (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride

(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride (PubChem CID 169080051) has the molecular formula C26H28ClFN6 and a molecular weight of 479.00 g/mol. Its IUPAC name is (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride.

Molecular Properties

Compound Name(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
PubChem CID169080051
Molecular FormulaC26H28ClFN6
Molecular Weight479.00 g/mol
Exact Mass478.20
IUPAC Name(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
SMILESCc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N.Cl
InChIInChI=1S/C26H27FN6.ClH/c1-16-7-8-19-21(30-16)15-26(24(19)28)10-13-32(14-11-26)25-22-9-12-29-33(22)23(17(2)31-25)18-5-3-4-6-20(18)27;/h3-9,12,24H,10-11,13-15,28H2,1-2H3;1H/t24-;/m1./s1
InChIKeyKBQGHTQFNTUZKQ-GJFSDDNBSA-N
XLogP4.81
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride?
The IUPAC name of (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride (CID 169080051) is (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride.
What is the SMILES notation for (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride?
The canonical SMILES for (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride is Cc1ccc2c(n1)CC1(CCN(c3nc(C)c(-c4ccccc4F)n4nccc34)CC1)[C@@H]2N.Cl.
What is the InChIKey of (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride?
The InChIKey is KBQGHTQFNTUZKQ-GJFSDDNBSA-N. The full InChI is InChI=1S/C26H27FN6.ClH/c1-16-7-8-19-21(30-16)15-26(24(19)28)10-13-32(14-11-26)25-22-9-12-29-33(22)23(17(2)31-25)18-5-3-4-6-20(18)27;/h3-9,12,24H,10-11,13-15,28H2,1-2H3;1H/t24-;/m1./s1.
What are the key properties of (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride?
(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride has a molecular weight of 479.00 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride is sourced from PubChem (CID 169080051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).