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

C23H27ClN6O — CID 127047567

IUPAC8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)n1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C23H27ClN6O/c1-14(2)30-18-4-3-15(11-16(18)12-28-30)17-13-27-21(25)19(24)20(17)29-9-6-23(7-10-29)5-8-26-22(23)31/h3-4,11-14H,5-10H2,1-2H3,(H2,25,27)(H,26,31)
InChIKeyKGLDQVUADAKWIL-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.02
Rot. Bonds3

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

8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 127047567) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID127047567
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)n1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21
InChIInChI=1S/C23H27ClN6O/c1-14(2)30-18-4-3-15(11-16(18)12-28-30)17-13-27-21(25)19(24)20(17)29-9-6-23(7-10-29)5-8-26-22(23)31/h3-4,11-14H,5-10H2,1-2H3,(H2,25,27)(H,26,31)
InChIKeyKGLDQVUADAKWIL-UHFFFAOYSA-N
XLogP4.02
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.02
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-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 127047567) is 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CC(C)n1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21.
What is the InChIKey of 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KGLDQVUADAKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-14(2)30-18-4-3-15(11-16(18)12-28-30)17-13-27-21(25)19(24)20(17)29-9-6-23(7-10-29)5-8-26-22(23)31/h3-4,11-14H,5-10H2,1-2H3,(H2,25,27)(H,26,31).
What are the key properties of 8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-amino-3-chloro-5-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 438.96 g/mol, XLogP of 4.02, 3 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-(1-propan-2-ylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 127047567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).