8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C25H29ClN6O — CID 74222788

IUPAC8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)n1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C25H29ClN6O/c1-16(2)32-15-19(13-30-32)17-3-5-18(6-4-17)20-14-29-23(27)21(26)22(20)31-11-8-25(9-12-31)7-10-28-24(25)33/h3-6,13-16H,7-12H2,1-2H3,(H2,27,29)(H,28,33)
InChIKeyMLTSNXSYHSYGAM-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.54
Rot. Bonds4

About 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 74222788) has the molecular formula C25H29ClN6O and a molecular weight of 465.00 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID74222788
Molecular FormulaC25H29ClN6O
Molecular Weight465.00 g/mol
Exact Mass464.21
IUPAC Name8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)n1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C25H29ClN6O/c1-16(2)32-15-19(13-30-32)17-3-5-18(6-4-17)20-14-29-23(27)21(26)22(20)31-11-8-25(9-12-31)7-10-28-24(25)33/h3-6,13-16H,7-12H2,1-2H3,(H2,27,29)(H,28,33)
InChIKeyMLTSNXSYHSYGAM-UHFFFAOYSA-N
XLogP4.54
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 74222788) is 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CC(C)n1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.
What is the InChIKey of 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MLTSNXSYHSYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O/c1-16(2)32-15-19(13-30-32)17-3-5-18(6-4-17)20-14-29-23(27)21(26)22(20)31-11-8-25(9-12-31)7-10-28-24(25)33/h3-6,13-16H,7-12H2,1-2H3,(H2,27,29)(H,28,33).
What are the key properties of 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 465.00 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 74222788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).