(7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine

C26H26ClFN6O — CID 168944293

IUPAC(7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
SMILESCOc1ccc2c(n1)[C@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
InChIInChI=1S/C26H26ClFN6O/c1-15-23(17-4-3-5-18(28)21(17)27)34-19(8-11-30-34)25(31-15)33-12-9-26(10-13-33)14-16-6-7-20(35-2)32-22(16)24(26)29/h3-8,11,24H,9-10,12-14,29H2,1-2H3/t24-/m0/s1
InChIKeyHWOXGYRXBHFSPS-DEOSSOPVSA-N
MW492.99 g/mol
LogP4.74
Rot. Bonds3

About (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine

(7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine (PubChem CID 168944293) has the molecular formula C26H26ClFN6O and a molecular weight of 492.99 g/mol. Its IUPAC name is (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine.

Molecular Properties

Compound Name(7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
PubChem CID168944293
Molecular FormulaC26H26ClFN6O
Molecular Weight492.99 g/mol
Exact Mass492.18
IUPAC Name(7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
SMILESCOc1ccc2c(n1)[C@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4Cl)n4nccc34)CC1)C2
InChIInChI=1S/C26H26ClFN6O/c1-15-23(17-4-3-5-18(28)21(17)27)34-19(8-11-30-34)25(31-15)33-12-9-26(10-13-33)14-16-6-7-20(35-2)32-22(16)24(26)29/h3-8,11,24H,9-10,12-14,29H2,1-2H3/t24-/m0/s1
InChIKeyHWOXGYRXBHFSPS-DEOSSOPVSA-N
XLogP4.74
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The IUPAC name of (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine (CID 168944293) is (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine.
What is the SMILES notation for (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The canonical SMILES for (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine is COc1ccc2c(n1)[C@H](N)C1(CCN(c3nc(C)c(-c4cccc(F)c4Cl)n4nccc34)CC1)C2.
What is the InChIKey of (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The InChIKey is HWOXGYRXBHFSPS-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26ClFN6O/c1-15-23(17-4-3-5-18(28)21(17)27)34-19(8-11-30-34)25(31-15)33-12-9-26(10-13-33)14-16-6-7-20(35-2)32-22(16)24(26)29/h3-8,11,24H,9-10,12-14,29H2,1-2H3/t24-/m0/s1.
What are the key properties of (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
(7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine has a molecular weight of 492.99 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1'-[7-(2-chloro-3-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine is sourced from PubChem (CID 168944293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).