9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one

C21H23N5O — CID 85471817

IUPAC9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(c3cc(-c4n[nH]c5ccccc45)ccn3)CC2)N1
InChIInChI=1S/C21H23N5O/c27-19-6-3-8-21(23-19)9-12-26(13-10-21)18-14-15(7-11-22-18)20-16-4-1-2-5-17(16)24-25-20/h1-2,4-5,7,11,14H,3,6,8-10,12-13H2,(H,23,27)(H,24,25)
InChIKeyBCUMVOZZVLAJCT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds2

About 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one

9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 85471817) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID85471817
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(c3cc(-c4n[nH]c5ccccc45)ccn3)CC2)N1
InChIInChI=1S/C21H23N5O/c27-19-6-3-8-21(23-19)9-12-26(13-10-21)18-14-15(7-11-22-18)20-16-4-1-2-5-17(16)24-25-20/h1-2,4-5,7,11,14H,3,6,8-10,12-13H2,(H,23,27)(H,24,25)
InChIKeyBCUMVOZZVLAJCT-UHFFFAOYSA-N
XLogP3.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one (CID 85471817) is 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one is O=C1CCCC2(CCN(c3cc(-c4n[nH]c5ccccc45)ccn3)CC2)N1.
What is the InChIKey of 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is BCUMVOZZVLAJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-19-6-3-8-21(23-19)9-12-26(13-10-21)18-14-15(7-11-22-18)20-16-4-1-2-5-17(16)24-25-20/h1-2,4-5,7,11,14H,3,6,8-10,12-13H2,(H,23,27)(H,24,25).
What are the key properties of 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one?
9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 85471817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).