2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C30H33N5O — CID 53390942

IUPAC2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESO=C(Cc1ccc(C2CC2)cn1)N1CCC2(CC1)CN(C1CCc3cc(-c4ncccn4)ccc31)C2
InChIInChI=1S/C30H33N5O/c36-28(17-25-7-4-24(18-33-25)21-2-3-21)34-14-10-30(11-15-34)19-35(20-30)27-9-6-22-16-23(5-8-26(22)27)29-31-12-1-13-32-29/h1,4-5,7-8,12-13,16,18,21,27H,2-3,6,9-11,14-15,17,19-20H2
InChIKeyZXPSCCPTTACNLO-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.57
Rot. Bonds5

About 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 53390942) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID53390942
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESO=C(Cc1ccc(C2CC2)cn1)N1CCC2(CC1)CN(C1CCc3cc(-c4ncccn4)ccc31)C2
InChIInChI=1S/C30H33N5O/c36-28(17-25-7-4-24(18-33-25)21-2-3-21)34-14-10-30(11-15-34)19-35(20-30)27-9-6-22-16-23(5-8-26(22)27)29-31-12-1-13-32-29/h1,4-5,7-8,12-13,16,18,21,27H,2-3,6,9-11,14-15,17,19-20H2
InChIKeyZXPSCCPTTACNLO-UHFFFAOYSA-N
XLogP4.57
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 53390942) is 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is O=C(Cc1ccc(C2CC2)cn1)N1CCC2(CC1)CN(C1CCc3cc(-c4ncccn4)ccc31)C2.
What is the InChIKey of 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is ZXPSCCPTTACNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c36-28(17-25-7-4-24(18-33-25)21-2-3-21)34-14-10-30(11-15-34)19-35(20-30)27-9-6-22-16-23(5-8-26(22)27)29-31-12-1-13-32-29/h1,4-5,7-8,12-13,16,18,21,27H,2-3,6,9-11,14-15,17,19-20H2.
What are the key properties of 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 479.63 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-pyridinyl)-1-[2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 53390942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).