(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

C26H27Cl2FN6 — CID 169080155

IUPAC(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
SMILESCc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccc(F)cc3[C@H]4N)c3ccnn23)c1Cl.Cl
InChIInChI=1S/C26H26ClFN6.ClH/c1-15-22(27)19(5-9-30-15)23-16(2)32-25(21-6-10-31-34(21)23)33-11-7-26(8-12-33)14-17-3-4-18(28)13-20(17)24(26)29;/h3-6,9-10,13,24H,7-8,11-12,14,29H2,1-2H3;1H/t24-;/m1./s1
InChIKeyAFWWJBKDTFVLSO-GJFSDDNBSA-N
MW513.45 g/mol
LogP5.47
Rot. Bonds2

About (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (PubChem CID 169080155) has the molecular formula C26H27Cl2FN6 and a molecular weight of 513.45 g/mol. Its IUPAC name is (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
PubChem CID169080155
Molecular FormulaC26H27Cl2FN6
Molecular Weight513.45 g/mol
Exact Mass512.17
IUPAC Name(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
SMILESCc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccc(F)cc3[C@H]4N)c3ccnn23)c1Cl.Cl
InChIInChI=1S/C26H26ClFN6.ClH/c1-15-22(27)19(5-9-30-15)23-16(2)32-25(21-6-10-31-34(21)23)33-11-7-26(8-12-33)14-17-3-4-18(28)13-20(17)24(26)29;/h3-6,9-10,13,24H,7-8,11-12,14,29H2,1-2H3;1H/t24-;/m1./s1
InChIKeyAFWWJBKDTFVLSO-GJFSDDNBSA-N
XLogP5.47
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
The IUPAC name of (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (CID 169080155) is (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
The canonical SMILES for (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is Cc1nccc(-c2c(C)nc(N3CCC4(CC3)Cc3ccc(F)cc3[C@H]4N)c3ccnn23)c1Cl.Cl.
What is the InChIKey of (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
The InChIKey is AFWWJBKDTFVLSO-GJFSDDNBSA-N. The full InChI is InChI=1S/C26H26ClFN6.ClH/c1-15-22(27)19(5-9-30-15)23-16(2)32-25(21-6-10-31-34(21)23)33-11-7-26(8-12-33)14-17-3-4-18(28)13-20(17)24(26)29;/h3-6,9-10,13,24H,7-8,11-12,14,29H2,1-2H3;1H/t24-;/m1./s1.
What are the key properties of (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride has a molecular weight of 513.45 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is sourced from PubChem (CID 169080155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).