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

C24H29N5 — CID 175822920

IUPAC1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(C1=CC=C[C@](C)(N2CCC3(CC2)Cc2ccccc2C3N)N1)c1ccn[nH]1
InChIInChI=1S/C24H29N5/c1-17(21-9-13-26-28-21)20-8-5-10-23(2,27-20)29-14-11-24(12-15-29)16-18-6-3-4-7-19(18)22(24)25/h3-10,13,22,27H,1,11-12,14-16,25H2,2H3,(H,26,28)/t22?,23-/m0/s1
InChIKeyKDTGOBNDYZMWCJ-WCSIJFPASA-N
MW387.53 g/mol
LogP3.52
Rot. Bonds3

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

1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822920) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822920
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(C1=CC=C[C@](C)(N2CCC3(CC2)Cc2ccccc2C3N)N1)c1ccn[nH]1
InChIInChI=1S/C24H29N5/c1-17(21-9-13-26-28-21)20-8-5-10-23(2,27-20)29-14-11-24(12-15-29)16-18-6-3-4-7-19(18)22(24)25/h3-10,13,22,27H,1,11-12,14-16,25H2,2H3,(H,26,28)/t22?,23-/m0/s1
InChIKeyKDTGOBNDYZMWCJ-WCSIJFPASA-N
XLogP3.52
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822920) is 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(C1=CC=C[C@](C)(N2CCC3(CC2)Cc2ccccc2C3N)N1)c1ccn[nH]1.
What is the InChIKey of 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is KDTGOBNDYZMWCJ-WCSIJFPASA-N. The full InChI is InChI=1S/C24H29N5/c1-17(21-9-13-26-28-21)20-8-5-10-23(2,27-20)29-14-11-24(12-15-29)16-18-6-3-4-7-19(18)22(24)25/h3-10,13,22,27H,1,11-12,14-16,25H2,2H3,(H,26,28)/t22?,23-/m0/s1.
What are the key properties of 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 387.53 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).