(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H28FN7 — CID 168944025

IUPAC(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
InChIInChI=1S/C25H28FN7/c1-15-22(20-14-29-31(3)16(20)2)33-21(6-9-28-33)24(30-15)32-10-7-25(8-11-32)13-17-12-18(26)4-5-19(17)23(25)27/h4-6,9,12,14,23H,7-8,10-11,13,27H2,1-3H3/t23-/m1/s1
InChIKeyBCXZZYXHFPASPV-HSZRJFAPSA-N
MW445.55 g/mol
LogP3.73
Rot. Bonds2

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

(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 168944025) has the molecular formula C25H28FN7 and a molecular weight of 445.55 g/mol. Its IUPAC name is (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID168944025
Molecular FormulaC25H28FN7
Molecular Weight445.55 g/mol
Exact Mass445.24
IUPAC Name(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C
InChIInChI=1S/C25H28FN7/c1-15-22(20-14-29-31(3)16(20)2)33-21(6-9-28-33)24(30-15)32-10-7-25(8-11-32)13-17-12-18(26)4-5-19(17)23(25)27/h4-6,9,12,14,23H,7-8,10-11,13,27H2,1-3H3/t23-/m1/s1
InChIKeyBCXZZYXHFPASPV-HSZRJFAPSA-N
XLogP3.73
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080102
(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
(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
(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169450652
3-[4-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-1-methylpyridin-2-one
CID 168944147
(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 168943903
(5S)-1-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methoxyspiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 169080067
1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 170101698
(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
CID 168944329
(5S)-1'-[6-methyl-7-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944288
1'-(7-bromo-6-methylpyrazolo[1,5-a]pyrazin-4-yl)-5-fluorospiro[3H-indene-2,4'-piperidine]-1-one
CID 168943918
1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168943979

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 168944025) is (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N)c2ccnn2c1-c1cnn(C)c1C.
What is the InChIKey of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is BCXZZYXHFPASPV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28FN7/c1-15-22(20-14-29-31(3)16(20)2)33-21(6-9-28-33)24(30-15)32-10-7-25(8-11-32)13-17-12-18(26)4-5-19(17)23(25)27/h4-6,9,12,14,23H,7-8,10-11,13,27H2,1-3H3/t23-/m1/s1.
What are the key properties of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 445.55 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 168944025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).