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

C20H21ClN6O2 — CID 74222108

IUPAC8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)ccc21
InChIInChI=1S/C20H21ClN6O2/c1-26-15-3-2-12(8-13(15)9-25-26)14-10-23-18(22)16(21)17(14)27-6-4-20(5-7-27)11-24-19(28)29-20/h2-3,8-10H,4-7,11H2,1H3,(H2,22,23)(H,24,28)
InChIKeyUYMBYVWSBPECIF-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.95
Rot. Bonds2

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

8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 74222108) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID74222108
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)ccc21
InChIInChI=1S/C20H21ClN6O2/c1-26-15-3-2-12(8-13(15)9-25-26)14-10-23-18(22)16(21)17(14)27-6-4-20(5-7-27)11-24-19(28)29-20/h2-3,8-10H,4-7,11H2,1H3,(H2,22,23)(H,24,28)
InChIKeyUYMBYVWSBPECIF-UHFFFAOYSA-N
XLogP2.95
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 74222108) is 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)ccc21.
What is the InChIKey of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UYMBYVWSBPECIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-26-15-3-2-12(8-13(15)9-25-26)14-10-23-18(22)16(21)17(14)27-6-4-20(5-7-27)11-24-19(28)29-20/h2-3,8-10H,4-7,11H2,1H3,(H2,22,23)(H,24,28).
What are the key properties of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 412.88 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 74222108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).