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

C26H31ClN6O2 — CID 74222786

IUPAC8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)(O)Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C26H31ClN6O2/c1-25(2,35)16-33-15-19(13-31-33)17-3-5-18(6-4-17)20-14-30-23(28)21(27)22(20)32-11-8-26(9-12-32)7-10-29-24(26)34/h3-6,13-15,35H,7-12,16H2,1-2H3,(H2,28,30)(H,29,34)
InChIKeyGHHDMQJYDMQTDY-UHFFFAOYSA-N
MW495.03 g/mol
LogP3.73
Rot. Bonds5

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

8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 74222786) has the molecular formula C26H31ClN6O2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID74222786
Molecular FormulaC26H31ClN6O2
Molecular Weight495.03 g/mol
Exact Mass494.22
IUPAC Name8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)(O)Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C26H31ClN6O2/c1-25(2,35)16-33-15-19(13-31-33)17-3-5-18(6-4-17)20-14-30-23(28)21(27)22(20)32-11-8-26(9-12-32)7-10-29-24(26)34/h3-6,13-15,35H,7-12,16H2,1-2H3,(H2,28,30)(H,29,34)
InChIKeyGHHDMQJYDMQTDY-UHFFFAOYSA-N
XLogP3.73
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.03
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 74222786) is 8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-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-(2-hydroxy-2-methylpropyl)pyrazol-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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CC(C)(O)Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.
What is the InChIKey of 8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GHHDMQJYDMQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O2/c1-25(2,35)16-33-15-19(13-31-33)17-3-5-18(6-4-17)20-14-30-23(28)21(27)22(20)32-11-8-26(9-12-32)7-10-29-24(26)34/h3-6,13-15,35H,7-12,16H2,1-2H3,(H2,28,30)(H,29,34).
What are the key properties of 8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 495.03 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-3-chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 74222786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).