1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C18H27ClN6 — CID 72894797

IUPAC1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCc1nn(C)c(Cl)c1CN1CCC2(CC1)c1nc[nH]c1CCN2C
InChIInChI=1S/C18H27ClN6/c1-4-14-13(17(19)24(3)22-14)11-25-9-6-18(7-10-25)16-15(20-12-21-16)5-8-23(18)2/h12H,4-11H2,1-3H3,(H,20,21)
InChIKeyDXHBNLQLLWQZIR-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.34
Rot. Bonds3

About 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72894797) has the molecular formula C18H27ClN6 and a molecular weight of 362.91 g/mol. Its IUPAC name is 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72894797
Molecular FormulaC18H27ClN6
Molecular Weight362.91 g/mol
Exact Mass362.20
IUPAC Name1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCc1nn(C)c(Cl)c1CN1CCC2(CC1)c1nc[nH]c1CCN2C
InChIInChI=1S/C18H27ClN6/c1-4-14-13(17(19)24(3)22-14)11-25-9-6-18(7-10-25)16-15(20-12-21-16)5-8-23(18)2/h12H,4-11H2,1-3H3,(H,20,21)
InChIKeyDXHBNLQLLWQZIR-UHFFFAOYSA-N
XLogP2.34
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72894797) is 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCc1nn(C)c(Cl)c1CN1CCC2(CC1)c1nc[nH]c1CCN2C.
What is the InChIKey of 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is DXHBNLQLLWQZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6/c1-4-14-13(17(19)24(3)22-14)11-25-9-6-18(7-10-25)16-15(20-12-21-16)5-8-23(18)2/h12H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 362.91 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72894797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).