2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one

C23H26N6O2 — CID 90398437

IUPAC2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CCC2(CCN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)C2)C1=O
InChIInChI=1S/C23H26N6O2/c1-22(5-6-22)31-15-3-4-17-16(11-15)20(27-26-17)18-12-19(25-14-24-18)29-10-8-23(13-29)7-9-28(2)21(23)30/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,26,27)
InChIKeyVNMGRBLYACRUHH-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.01
Rot. Bonds4

About 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one

2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 90398437) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID90398437
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CCC2(CCN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)C2)C1=O
InChIInChI=1S/C23H26N6O2/c1-22(5-6-22)31-15-3-4-17-16(11-15)20(27-26-17)18-12-19(25-14-24-18)29-10-8-23(13-29)7-9-28(2)21(23)30/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,26,27)
InChIKeyVNMGRBLYACRUHH-UHFFFAOYSA-N
XLogP3.01
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 90398437) is 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one is CN1CCC2(CCN(c3cc(-c4n[nH]c5ccc(OC6(C)CC6)cc45)ncn3)C2)C1=O.
What is the InChIKey of 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is VNMGRBLYACRUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-22(5-6-22)31-15-3-4-17-16(11-15)20(27-26-17)18-12-19(25-14-24-18)29-10-8-23(13-29)7-9-28(2)21(23)30/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,26,27).
What are the key properties of 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one?
2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 418.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 90398437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).