(1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H29N5O — CID 155774319

IUPAC(1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc2c(ccn2C2=CCOCC2)nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C25H29N5O/c1-17-23(28-21-6-11-30(24(21)27-17)19-7-14-31-15-8-19)29-12-9-25(10-13-29)16-18-4-2-3-5-20(18)22(25)26/h2-7,11,22H,8-10,12-16,26H2,1H3/t22-/m1/s1
InChIKeyLYJZRDHGIRKOCU-JOCHJYFZSA-N
MW415.54 g/mol
LogP3.84
Rot. Bonds2

About (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774319) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774319
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name(1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1nc2c(ccn2C2=CCOCC2)nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C25H29N5O/c1-17-23(28-21-6-11-30(24(21)27-17)19-7-14-31-15-8-19)29-12-9-25(10-13-29)16-18-4-2-3-5-20(18)22(25)26/h2-7,11,22H,8-10,12-16,26H2,1H3/t22-/m1/s1
InChIKeyLYJZRDHGIRKOCU-JOCHJYFZSA-N
XLogP3.84
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774319) is (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc2c(ccn2C2=CCOCC2)nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is LYJZRDHGIRKOCU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17-23(28-21-6-11-30(24(21)27-17)19-7-14-31-15-8-19)29-12-9-25(10-13-29)16-18-4-2-3-5-20(18)22(25)26/h2-7,11,22H,8-10,12-16,26H2,1H3/t22-/m1/s1.
What are the key properties of (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 415.54 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[5-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrrolo[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).