1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

C19H28N6 — CID 97360982

IUPAC1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2
InChIInChI=1S/C19H28N6/c1-22-9-10-25-17(16-11-21-23(2)14-16)12-20-18(25)19(22)5-7-24(8-6-19)13-15-3-4-15/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyLZQJRYCBOUIIAX-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.93
Rot. Bonds3

About 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]

1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (PubChem CID 97360982) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
PubChem CID97360982
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
SMILESCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2
InChIInChI=1S/C19H28N6/c1-22-9-10-25-17(16-11-21-23(2)14-16)12-20-18(25)19(22)5-7-24(8-6-19)13-15-3-4-15/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyLZQJRYCBOUIIAX-UHFFFAOYSA-N
XLogP1.93
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The IUPAC name of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] (CID 97360982) is 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine].
What is the SMILES notation for 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The canonical SMILES for 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is CN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(CC1CC1)CC2.
What is the InChIKey of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
The InChIKey is LZQJRYCBOUIIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-22-9-10-25-17(16-11-21-23(2)14-16)12-20-18(25)19(22)5-7-24(8-6-19)13-15-3-4-15/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]?
1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] has a molecular weight of 340.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-7-methyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine] is sourced from PubChem (CID 97360982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).