(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C26H28N6 — CID 175822870

IUPAC(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1cc2c(C)[nH]nc2cc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C26H28N6/c1-16(22-7-10-28-30-22)20-13-21-17(2)29-31-23(21)14-24(20)32-11-8-26(9-12-32)15-18-5-3-4-6-19(18)25(26)27/h3-7,10,13-14,25H,1,8-9,11-12,15,27H2,2H3,(H,28,30)(H,29,31)/t25-/m1/s1
InChIKeyRXZQXBPYBLWCOE-RUZDIDTESA-N
MW424.55 g/mol
LogP4.50
Rot. Bonds3

About (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822870) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822870
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1cc2c(C)[nH]nc2cc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C26H28N6/c1-16(22-7-10-28-30-22)20-13-21-17(2)29-31-23(21)14-24(20)32-11-8-26(9-12-32)15-18-5-3-4-6-19(18)25(26)27/h3-7,10,13-14,25H,1,8-9,11-12,15,27H2,2H3,(H,28,30)(H,29,31)/t25-/m1/s1
InChIKeyRXZQXBPYBLWCOE-RUZDIDTESA-N
XLogP4.50
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Abt 102
CID 11256560
A-795614
CID 11451659
5-(3-benzylpyrrolidin-3-yl)-1H-indazole
CID 44231144
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-(3,3-dimethylbutyl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16747868
1-(1H-indazol-4-yl)-3-(4-(pyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl)urea
CID 11164323
N-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea
CID 11202946
1-(1H-Indazol-4-yl)-3-(4-piperidin-1-yl-indan-1-yl)-urea
CID 11234223
N-(5-tert-Butylindan-1-yl)-N'-(1H-indazol-4-yl)urea
CID 11244984
1-(4-methyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11266761
1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea
CID 11268075
1-(7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11278186
N-1H-indazol-4-yl-N'-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
CID 11428814

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822870) is (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(c1ccn[nH]1)c1cc2c(C)[nH]nc2cc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is RXZQXBPYBLWCOE-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28N6/c1-16(22-7-10-28-30-22)20-13-21-17(2)29-31-23(21)14-24(20)32-11-8-26(9-12-32)15-18-5-3-4-6-19(18)25(26)27/h3-7,10,13-14,25H,1,8-9,11-12,15,27H2,2H3,(H,28,30)(H,29,31)/t25-/m1/s1.
What are the key properties of (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 424.55 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).